16189 <common-name>Phenol, tetrapropylene-, barium salt, overbased</common-name> <description nil="true"/> <cas>78330-15-1</cas> <pubchem-id nil="true"/> <chemical-formula>C36H58BaO2</chemical-formula> <weight nil="true"/> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T04:43:07Z</created-at> <updated-at type="dateTime">2026-04-06T07:55:25Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>[Ba++].CC(C)CC(C)CC(C)CC(C)C1=CC=C([O-])C=C1.CC(C)CC(C)CC(C)CC(C)C1=CC=C([O-])C=C1</moldb-smiles> <moldb-formula>C36H58BaO2</moldb-formula> <moldb-inchi>InChI=1S/2C18H30O.Ba/c2*1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(19)9-7-17;/h2*6-9,13-16,19H,10-12H2,1-5H3;/q;;+2/p-2</moldb-inchi> <moldb-inchikey>SUIBPORCFCTGBX-UHFFFAOYSA-L</moldb-inchikey> <moldb-average-mass type="decimal">660.185</moldb-average-mass> <moldb-mono-mass type="decimal">660.348928</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM015084</chemdb-id> <dsstox-id>DTXSID50105034</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>www.chemicalize.org</stoff-ident-origin> <stoff-ident-id>SI00005290</stoff-ident-id> <susdat-id>NS00113597</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>23.06</moldb-polar-surface-area> <moldb-refractivity>94.03179999999999</moldb-refractivity> <moldb-polarizability>32.232707536112244</moldb-polarizability> <moldb-rotatable-bond-count>14</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>10.26821333663415</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-5.444344142978967</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>9.31</moldb-alogps-logp> <moldb-alogps-logs>-7.69</moldb-alogps-logs> <moldb-alogps-solubility>1.36e-05 g/l</moldb-alogps-solubility> </compound>