Propanoyl Chloride
Everything that changed this flow. Back to the flow
85e670c0-892f-4471-96a3-237d20bc3357
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 83547' (registry code) |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=propanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-03-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c55f94952fad653b: {'79-03-8': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['79-03-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[62324]; selected_pubchem_cids=[62324]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 12,623 | bootstrap_labels | prefLabel | — | [{"@value":"propanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Bootstrapped prefLabel from legacy name field |
| 12,624 | bootstrap_labels | name | propanoyl chloride | — | Purged legacy name field to enforce prefLabel usage |
| 12,625 | bootstrap_labels | synonyms | ["organic","propionylchloride","chloroethylketone","ethylcarbonsã¤urechlorid","propanoylchloride","propanoylchloride(9c… | [] | Removed legacy synonyms field in favor of structured labels |
| 129,458 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 129,459 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 217,516 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,023 | normalize_name_case | prefLabel | [{"@value":"propanoyl chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | [{"@value":"Propanoyl Chloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributed… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 239,173 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 239,174 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 239,175 | enrich_references | references | [] | [{"@id":"http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.227G","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['79-03-8']; matched_chebi_ids=[]; candidate_pubchem_cids=[62324]; selected_pubchem_cids=[62324]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 251,766 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | rdkit_pre_consensus from 'CCC(=O)Cl'; added: molecular_mass, monoisotopic_mass |
| 271,065 | consensus_match | altLabel | [] | [{"@value":"Chloro ethyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | group_key=propanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; cas=79-03-8; added Common Chemistry CAS names as altLabel: Chloro ethyl ketone, Ethyl chloroform, NSC 83547, Propionic acid chloride, Propionoyl chloride, Propionyl chloride, Prorionyl chloride; object_uuid=fo-c55f94952fad653b |
| 271,066 | consensus_match | cas_match_labels | — | {"79-03-8":"exactMatch"} | group_key=propanoylchloride||dimension=Environmental > media=Air > strata=Aircraft cruise height; group_sources=['ec_inventory', 'pubchem']; cas_sources={'79-03-8': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-c55f94952fad653b: {'79-03-8': 'exactMatch'} |
| 276,953 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Propanoyl Chloride' |
| 283,603 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | rdkit_post_consensus from 'CCC(=O)Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,860 | strip_catalogue_altlabels | altLabel | [{"@value":"Chloro ethyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | [{"@value":"Chloro ethyl ketone","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributed… | Removed 1 catalogue altLabel value(s): 'NSC 83547' (registry code) |
| 345,730 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/85e670c0-892f-… | associations resolved on the elementary layer |
| 391,308 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H5ClO"],… | typed the way the ontology types it |
| 399,281 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260821T1554374006150000/12623 | prefLabel | ef:agent/bootstrap_labels | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v0 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v1 |
| ef:activity/change/20260821T1554374006150000/12624 | name | ef:agent/bootstrap_labels | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v1 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v2 |
| ef:activity/change/20260821T1554374006150000/12625 | synonyms | ef:agent/bootstrap_labels | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v2 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v3 |
| ef:activity/change/20260821T1554374006150000/129458 | context | ef:agent/default_context_mapping | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v3 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v4 |
| ef:activity/change/20260821T1554374006150000/129459 | context_iri | ef:agent/default_context_mapping | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v4 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v5 |
| ef:activity/change/20260821T1554374006150000/217516 | unit_iri | ef:agent/unit_normalization | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v5 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v6 |
| ef:activity/change/20260821T1554374006150000/224023 | prefLabel | ef:agent/normalize_name_case | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v6 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v7 |
| ef:activity/change/20260821T1554374006150000/239173 | properties | ef:agent/enrich_references | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v7 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v8 |
| ef:activity/change/20260821T1554374006150000/239174 | skos_definition | ef:agent/enrich_references | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v8 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v9 |
| ef:activity/change/20260821T1554374006150000/239175 | references | ef:agent/enrich_references | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v9 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v10 |
| ef:activity/change/20260821T1554374006150000/251766 | properties | ef:agent/rdkit_pre_consensus | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v10 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v11 |
| ef:activity/change/20260821T1554374006150000/271065 | altLabel | ef:agent/consensus_match | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v11 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v12 |
| ef:activity/change/20260821T1554374006150000/271066 | cas_match_labels | ef:agent/consensus_match | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v12 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v13 |
| ef:activity/change/20260821T1554374006150000/276953 | properties | ef:agent/opsin_iupac | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v13 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v14 |
| ef:activity/change/20260821T1554374006150000/283603 | properties | ef:agent/rdkit_post_consensus | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v14 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v15 |
| ef:activity/change/20260821T1554374006150000/289860 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v15 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v16 |
| ef:activity/change/20260821T1554374006150000/345730 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v16 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v17 |
| ef:activity/change/20260821T1554374006150000/391308 | properties | ef:agent/normalise_property_values | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v17 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v18 |
| ef:activity/change/20260821T1554374006150000/399281 | types | ef:agent/link_flows_to_their_substance | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v18 | ef:flow/85e670c0-892f-4471-96a3-237d20bc3357/v19 |