Input interpretation
benzoic acid | isothiocyanic acid
Chemical names and formulas
| benzoic acid | isothiocyanic acid formula | C_6H_5COOH | HNCS Hill formula | C_7H_6O_2 | CHNS name | benzoic acid | isothiocyanic acid IUPAC name | benzoic acid | isothiocyanic acid alternate names | benzenecarboxylic acid | benzeneformic acid | carboxybenzene | dracylic acid | phenylformic acid | retardex | azanediidosulfidocarbon | hydrogen isothiocyanate | imidosulfidocarbon mass fractions | C (carbon) 68.8% | H (hydrogen) 4.95% | O (oxygen) 26.2% | C (carbon) 20.3% | H (hydrogen) 1.71% | N (nitrogen) 23.7% | S (sulfur) 54.3%
Structure diagrams
| benzoic acid | isothiocyanic acid vertex count | 9 | 3 edge count | 10 | 3 Schultz index | 375 | 16 Wiener index | 88 | 4 Hosoya index | 62 | 3 Balaban index | 2.228 | 1.633
3D structure
3D structure
Basic properties
| benzoic acid | isothiocyanic acid molar mass | 122.12 g/mol | 59.09 g/mol phase | solid (at STP) | liquid (at STP) melting point | 123 °C | boiling point | 249 °C | 111 °C density | 1.316 g/cm^3 | solubility in water | | soluble
Units
Hydrophobicity and permeability properties
| benzoic acid predicted LogP hydrophobicity | 1.72 experimental LogS | -1.55 predicted LogS | -1.24
Thermodynamic properties
| benzoic acid molar heat of vaporization | 65.4 kJ/mol (kilojoules per mole) specific heat of vaporization | 0.536 kJ/g (kilojoules per gram) molar heat of combustion | 3229 kJ/mol (kilojoules per mole) molar heat of fusion | 18.02 kJ/mol (kilojoules per mole) critical temperature | 752 K (kelvins) critical pressure | 4.6 MPa (megapascals) acentric factor ω | 0.604
Solid properties
| benzoic acid density | 1.316 g/cm^3 vapor pressure | 9.998 mmHg refractive index | 1.504
Units
