- InChI
- InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
- InChI Key
- FGTYTUFKXYPTML-UHFFFAOYSA-N
- Formula
- C14H10O3
- SMILES
- O=C(O)c1ccccc1C(=O)c1ccccc1
- Molecular Weight1
- 226.23
- Other Names
-
- Benzoic acid, o-benzoyl-
- o-Benzoylbenzoic acid
- Benzophenone-2-carboxylic acid
- 2-Benzoylbenzoic acid
- 2-Carboxybenzophenone
- Benzophenone-2-carbonic acid
- 2-Benzoquinonecarboxylic acid
- o-Carboxybenzophenone
- NSC 6646
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7943 | Relay (1.0) Calculated Property | |
| ΔfG° | -190.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.22 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.06 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.616 | Crippen Calculated Property | |
| McVol | 169.610 | ml/mol | McGowan Calculated Property |
| Pc | 3217.33 | kPa | Joback Calculated Property |
| Tboil | 534.20 | K | NIST |
| Tc | 936.57 | K | Relay (1.0) Calculated Property |
| Tfus | [401.95; 402.25] | K |
|
| Tfus | 401.95 ± 0.30 | K | NIST |
| Tfus | 402.25 ± 0.20 | K | NIST |
| Vc | 0.614 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [452.89; 506.15] | J/mol×K | [777.64; 1030.05] |
|
| Cp,gas | 452.89 | J/mol×K | 777.64 | Joback Calculated Property |
| Cp,gas | 464.07 | J/mol×K | 819.71 | Joback Calculated Property |
| Cp,gas | 474.21 | J/mol×K | 861.78 | Joback Calculated Property |
| Cp,gas | 483.40 | J/mol×K | 903.84 | Joback Calculated Property |
| Cp,gas | 491.73 | J/mol×K | 945.91 | Joback Calculated Property |
| Cp,gas | 499.28 | J/mol×K | 987.98 | Joback Calculated Property |
| Cp,gas | 506.15 | J/mol×K | 1030.05 | Joback Calculated Property |
| η | [0.0001405; 0.0007393] | Pa×s | [523.43; 777.64] |
|
| η | 0.0007393 | Pa×s | 523.43 | Joback Calculated Property |
| η | 0.0005054 | Pa×s | 565.80 | Joback Calculated Property |
| η | 0.0003643 | Pa×s | 608.17 | Joback Calculated Property |
| η | 0.0002740 | Pa×s | 650.54 | Joback Calculated Property |
| η | 0.0002134 | Pa×s | 692.90 | Joback Calculated Property |
| η | 0.0001710 | Pa×s | 735.27 | Joback Calculated Property |
| η | 0.0001405 | Pa×s | 777.64 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Benzoylbenzoic acid.
Sources
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