- 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
- CAS
- 85-52-9
- 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
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -112.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.49 | Crippen Calculated Property | |
| logPoct/wat | 2.616 | Crippen Calculated Property | |
| McVol | 169.610 | ml/mol | McGowan Calculated Property |
| Pc | 3472.45 | kPa | Joback Calculated Property |
| Tboil | 534.20 | K | NIST |
| Tc | 1010.00 | K | Joback Calculated Property |
| Tfus | [401.95; 402.25] | K |
|
| Tfus | 401.95 ± 0.30 | K | NIST |
| Tfus | 402.25 ± 0.20 | K | NIST |
| Vc | 0.634 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.21; 499.82] | J/mol×K | [777.98; 1010.00] |
|
| Cp,gas | 450.21 | J/mol×K | 777.98 | Joback Calculated Property |
| Cp,gas | 460.54 | J/mol×K | 816.65 | Joback Calculated Property |
| Cp,gas | 469.96 | J/mol×K | 855.32 | Joback Calculated Property |
| Cp,gas | 478.54 | J/mol×K | 893.99 | Joback Calculated Property |
| Cp,gas | 486.33 | J/mol×K | 932.66 | Joback Calculated Property |
| Cp,gas | 493.41 | J/mol×K | 971.33 | Joback Calculated Property |
| Cp,gas | 499.82 | J/mol×K | 1010.00 | Joback Calculated Property |
| η | [0.0000386; 0.0009334] | Pa×s | [473.58; 777.98] |
|
| η | 0.0009334 | Pa×s | 473.58 | Joback Calculated Property |
| η | 0.0004245 | Pa×s | 524.31 | Joback Calculated Property |
| η | 0.0002219 | Pa×s | 575.05 | Joback Calculated Property |
| η | 0.0001288 | Pa×s | 625.78 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 676.51 | Joback Calculated Property |
| η | 0.0000545 | Pa×s | 727.25 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 777.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-benzoyl-.
Sources
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