- InChI
- InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
- InChI Key
- ICQOWIXIHDDXDI-UHFFFAOYSA-N
- Formula
- C15H12O3
- SMILES
- Cc1ccc(C(=O)c2ccccc2C(=O)O)cc1
- Molecular Weight1
- 240.25
- CAS
- 85-55-2
- Other Names
-
- Benzoic acid, o-(p-toluoyl)-
- o-(p-Toluoyl)benzoic acid
- 2-(p-Toluyl)benzoic acid
- 2-(4-Methylbenzoyl)benzoic acid
- 4'-Methylbenzophenone-2-carboxylic acid
- 2-(p-Toluoyl)benzoic acid
- p-Toluoyl-o-benzoic acid
- 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 | 0.8226 | Relay (1.0) Calculated Property | |
| ΔfG° | -113.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -364.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 29.20 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 117.72 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.924 | Crippen Calculated Property | |
| McVol | 183.700 | ml/mol | McGowan Calculated Property |
| Pc | 3059.17 | kPa | Joback Calculated Property |
| Tboil | 634.31 | K | Relay (1.0) Calculated Property |
| Tc | 934.62 | K | Relay (1.0) Calculated Property |
| Tfus | 421.52 | K | Relay (1.0) Calculated Property |
| Vc | 0.659 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [501.16; 552.92] | J/mol×K | [805.84; 1035.00] | 
|
| Cp,gas | 501.16 | J/mol×K | 805.84 | Joback Calculated Property |
| Cp,gas | 511.86 | J/mol×K | 844.03 | Joback Calculated Property |
| Cp,gas | 521.65 | J/mol×K | 882.23 | Joback Calculated Property |
| Cp,gas | 530.60 | J/mol×K | 920.42 | Joback Calculated Property |
| Cp,gas | 538.76 | J/mol×K | 958.62 | Joback Calculated Property |
| Cp,gas | 546.18 | J/mol×K | 996.81 | Joback Calculated Property |
| Cp,gas | 552.92 | J/mol×K | 1035.00 | Joback Calculated Property |
| η | [0.0000328; 0.0006590] | Pa×s | [497.37; 805.84] |
|
| η | 0.0006590 | Pa×s | 497.37 | Joback Calculated Property |
| η | 0.0003162 | Pa×s | 548.78 | Joback Calculated Property |
| η | 0.0001720 | Pa×s | 600.19 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 651.61 | Joback Calculated Property |
| η | 0.0000665 | Pa×s | 703.02 | Joback Calculated Property |
| η | 0.0000456 | Pa×s | 754.43 | Joback Calculated Property |
| η | 0.0000328 | Pa×s | 805.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(4-methylbenzoyl)-.
Sources
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