- InChI
- InChI=1S/C15H12O3/c1-18-15(17)13-10-6-5-9-12(13)14(16)11-7-3-2-4-8-11/h2-10H,1H3
- InChI Key
- NQSMEZJWJJVYOI-UHFFFAOYSA-N
- Formula
- C15H12O3
- SMILES
- COC(=O)c1ccccc1C(=O)c1ccccc1
- Molecular Weight1
- 240.25
- CAS
- 606-28-0
- Other Names
-
- 2-Benzoylbenzoic acid, methyl ester
- Benzoic acid, o-benzoyl-, methyl ester
- Methyl o-benzoylbenzoate
- Methyl-2-benzoylbenzoate
- methyl 2-(benzoyl)benzoate
- o-(Methoxycarbonyl)benzophenone
- o-Benzoylbenzoic acid methyl ester
- 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° | -72.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -248.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.68 | Aq. Sol... | |
| logPoct/wat | 2.704 | Crippen Calculated Property | |
| McVol | 183.700 | ml/mol | McGowan Calculated Property |
| Pc | 2764.26 | kPa | Joback Calculated Property |
| Tboil | 625.00 | K | NIST |
| Tc | 975.09 | K | Joback Calculated Property |
| Tfus | 325.00 | K | NIST |
| Vc | 0.690 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [480.02; 545.09] | J/mol×K | [731.10; 975.09] | 
|
| Cp,gas | 480.02 | J/mol×K | 731.10 | Joback Calculated Property |
| Cp,gas | 493.68 | J/mol×K | 771.76 | Joback Calculated Property |
| Cp,gas | 506.15 | J/mol×K | 812.43 | Joback Calculated Property |
| Cp,gas | 517.48 | J/mol×K | 853.09 | Joback Calculated Property |
| Cp,gas | 527.71 | J/mol×K | 893.76 | Joback Calculated Property |
| Cp,gas | 536.90 | J/mol×K | 934.42 | Joback Calculated Property |
| Cp,gas | 545.09 | J/mol×K | 975.09 | Joback Calculated Property |
| η | [0.0001379; 0.0010757] | Pa×s | [446.26; 731.10] |
|
| η | 0.0010757 | Pa×s | 446.26 | Joback Calculated Property |
| η | 0.0006479 | Pa×s | 493.73 | Joback Calculated Property |
| η | 0.0004265 | Pa×s | 541.21 | Joback Calculated Property |
| η | 0.0003004 | Pa×s | 588.68 | Joback Calculated Property |
| η | 0.0002229 | Pa×s | 636.15 | Joback Calculated Property |
| η | 0.0001724 | Pa×s | 683.63 | Joback Calculated Property |
| η | 0.0001379 | Pa×s | 731.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-benzoyl-, methyl ester.
Sources
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