- InChI
- InChI=1S/C16H14O3/c1-2-19-16(18)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12/h3-11H,2H2,1H3
- InChI Key
- CGWFVEFHQWJOKI-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
- CCOC(=O)c1ccccc1C(=O)c1ccccc1
- Molecular Weight1
- 254.28
- CAS
- 604-61-5
- Other Names
-
- ethyl 2-(benzoyl)benzoate
- 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° | -63.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -269.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.33 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Aq. Sol... | |
| logPoct/wat | 3.094 | Crippen Calculated Property | |
| McVol | 197.790 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Tboil | 753.98 | K | Joback Calculated Property |
| Tc | 993.12 | K | Joback Calculated Property |
| Tfus | 332.65 | K | Aq. Sol... |
| Vc | 0.746 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [532.75; 599.86] | J/mol×K | [753.98; 993.12] | 
|
| Cp,gas | 532.75 | J/mol×K | 753.98 | Joback Calculated Property |
| Cp,gas | 546.77 | J/mol×K | 793.84 | Joback Calculated Property |
| Cp,gas | 559.59 | J/mol×K | 833.69 | Joback Calculated Property |
| Cp,gas | 571.26 | J/mol×K | 873.55 | Joback Calculated Property |
| Cp,gas | 581.82 | J/mol×K | 913.40 | Joback Calculated Property |
| Cp,gas | 591.34 | J/mol×K | 953.26 | Joback Calculated Property |
| Cp,gas | 599.86 | J/mol×K | 993.12 | Joback Calculated Property |
| η | [0.0001229; 0.0010066] | Pa×s | [457.53; 753.98] |
|
| η | 0.0010066 | Pa×s | 457.53 | Joback Calculated Property |
| η | 0.0005977 | Pa×s | 506.94 | Joback Calculated Property |
| η | 0.0003893 | Pa×s | 556.35 | Joback Calculated Property |
| η | 0.0002720 | Pa×s | 605.75 | Joback Calculated Property |
| η | 0.0002005 | Pa×s | 655.16 | Joback Calculated Property |
| η | 0.0001543 | Pa×s | 704.57 | Joback Calculated Property |
| η | 0.0001229 | Pa×s | 753.98 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to O-benzoylbenzoic acid, ethyl ester.
Sources
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