- InChI
- InChI=1S/C15H14O2/c1-12-7-5-6-10-14(12)11-17-15(16)13-8-3-2-4-9-13/h2-10H,11H2,1H3
- InChI Key
- NAIUTWJYNXOVNP-UHFFFAOYSA-N
- Formula
- C15H14O2
- SMILES
- Cc1ccccc1COC(=O)c1ccccc1
- Molecular Weight1
- 226.27
- CAS
- 80716-36-5
- Other Names
-
- Benzoic acid, (2-methylphenyl)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).
- Inp : Non-polar retention indices.
- 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° | 56.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -136.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.35 | kJ/mol | Joback Calculated Property |
| log10WS | -4.30 | Crippen Calculated Property | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 182.130 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Inp | 1908.00 | NIST | |
| Tboil | 677.23 | K | Joback Calculated Property |
| Tc | 915.77 | K | Joback Calculated Property |
| Tfus | 396.33 | K | Joback Calculated Property |
| Vc | 0.683 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [465.84; 542.35] | J/mol×K | [677.23; 915.77] | 
|
| Cp,gas | 465.84 | J/mol×K | 677.23 | Joback Calculated Property |
| Cp,gas | 481.42 | J/mol×K | 716.99 | Joback Calculated Property |
| Cp,gas | 495.81 | J/mol×K | 756.74 | Joback Calculated Property |
| Cp,gas | 509.05 | J/mol×K | 796.50 | Joback Calculated Property |
| Cp,gas | 521.19 | J/mol×K | 836.25 | Joback Calculated Property |
| Cp,gas | 532.27 | J/mol×K | 876.01 | Joback Calculated Property |
| Cp,gas | 542.35 | J/mol×K | 915.77 | Joback Calculated Property |
| η | [0.0001356; 0.0012300] | Pa×s | [396.33; 677.23] |
|
| η | 0.0012300 | Pa×s | 396.33 | Joback Calculated Property |
| η | 0.0007015 | Pa×s | 443.15 | Joback Calculated Property |
| η | 0.0004454 | Pa×s | 489.96 | Joback Calculated Property |
| η | 0.0003061 | Pa×s | 536.78 | Joback Calculated Property |
| η | 0.0002234 | Pa×s | 583.60 | Joback Calculated Property |
| η | 0.0001709 | Pa×s | 630.41 | Joback Calculated Property |
| η | 0.0001356 | Pa×s | 677.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylbenzyl benzoate.
Sources
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