Input interpretation
phenol | phosphorous acid
Chemical names and formulas
| phenol | phosphorous acid formula | C_6H_5OH | HP(O)(OH)_2 Hill formula | C_6H_6O | H_3O_3P name | phenol | phosphorous acid IUPAC name | phenol | dihydroxy-oxophosphonium alternate names | benzenol | hydroxybenzene | monophenol | oxybenzene | phenic acid | phenol | phenyl hydrate | phenyl hydroxide | phenylic acid | dihydroxy-keto-phosphonium | dihydroxy-oxo-phosphanium | dihydroxy-oxophosphanium | dihydroxy-oxo-phosphonium | phosphonic acid mass fractions | C (carbon) 76.6% | H (hydrogen) 6.43% | O (oxygen) 17% | H (hydrogen) 3.69% | O (oxygen) 58.5% | P (phosphorus) 37.8%
Structure diagrams
| phenol | phosphorous acid vertex count | 7 | 4 edge count | 8 | 6 Schultz index | 193 | 36 Wiener index | 42 | 9 Hosoya index | 26 | 4 Balaban index | 2.123 | 2.324
3D structure
3D structure
Basic properties
| phenol | phosphorous acid molar mass | 94.11 g/mol | 81.995 g/mol phase | solid (at STP) | melting point | 40.89 °C | boiling point | 181.87 °C | density | 1.071 g/cm^3 | 1.651 g/cm^3
Units
Hydrophobicity and permeability properties
| phenol predicted LogP hydrophobicity | 1.39 experimental LogS | 0 predicted LogS | -0.31
Thermodynamic properties
| phenol | phosphorous acid molar heat of vaporization | 57.8 kJ/mol (kilojoules per mole) | specific heat of vaporization | 0.614 kJ/g (kilojoules per gram) | molar heat of combustion | 3053.5 kJ/mol (kilojoules per mole) | molar heat of fusion | 11.51 kJ/mol (kilojoules per mole) | 12.8 kJ/mol (kilojoules per mole) specific heat of fusion | 0.1223 kJ/g (kilojoules per gram) | 0.156 kJ/g (kilojoules per gram) critical temperature | 694 K (kelvins) | critical pressure | 6.13 MPa (megapascals) | compressibility factor | 0.2432 (at critical conditions) | acentric factor ω | 0.426 | Antoine equation constants | 15.2767 | 4027.98 | -76.7014 |
Solid properties
| phenol density | 1.071 g/cm^3 vapor pressure | 4.653 mmHg refractive index | 1.5425
Units
Chemical identifiers
O InChI identifier | InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5, 7H | InChI=1/HO3P/c1-4(2)3/h(H-, 1, 2, 3)/p+1/fH2O3P/h1-2H/q+1 InChI key | ISWSIDIOOBJBQZ-UHFFFAOYAI | RTECS number | SJ3325000 | SZ6400000 MDL number | MFCD00002143 | MFCD00137258](../image_source/81039e53c604fd6abbb4f793847437bb.png)
| phenol | phosphorous acid CAS number | 108-95-2 | 13598-36-2 Beilstein number | 969616 | PubChem CID number | 996 | 3084169 PubChem SID number | 3446 | 24852869 SMILES identifier | C1=CC=C(C=C1)O | O[P+](=O)O InChI identifier | InChI=1/C6H6O/c7-6-4-2-1-3-5-6/h1-5, 7H | InChI=1/HO3P/c1-4(2)3/h(H-, 1, 2, 3)/p+1/fH2O3P/h1-2H/q+1 InChI key | ISWSIDIOOBJBQZ-UHFFFAOYAI | RTECS number | SJ3325000 | SZ6400000 MDL number | MFCD00002143 | MFCD00137258