- InChI
- InChI=1S/C15H14O2/c1-12(13-8-4-2-5-9-13)17-15(16)14-10-6-3-7-11-14/h2-12H,1H3
- InChI Key
- NIHKUOHNHOWTCI-UHFFFAOYSA-N
- Formula
- C15H14O2
- SMILES
- CC(OC(=O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 226.27
- 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.
- I : 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° | 63.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -129.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.30 | kJ/mol | Joback Calculated Property |
| log10WS | -4.21 | Crippen Calculated Property | |
| logPoct/wat | 3.605 | Crippen Calculated Property | |
| McVol | 182.130 | ml/mol | McGowan Calculated Property |
| Pc | 2651.56 | kPa | Joback Calculated Property |
| Inp | [1733.00; 1796.00] |
|
|
| Inp | 1733.00 | NIST | |
| Inp | 1744.00 | NIST | |
| Inp | 1760.00 | NIST | |
| Inp | 1771.00 | NIST | |
| Inp | 1784.00 | NIST | |
| Inp | 1796.00 | NIST | |
| Inp | 1745.00 | NIST | |
| Inp | 1757.00 | NIST | |
| Inp | 1733.00 | NIST | |
| Inp | 1796.00 | NIST | |
| I | [2504.00; 2558.00] |
|
|
| I | 2504.00 | NIST | |
| I | 2530.00 | NIST | |
| I | 2558.00 | NIST | |
| I | 2530.00 | NIST | |
| I | 2518.00 | NIST | |
| I | 2530.00 | NIST | |
| Tboil | 671.81 | K | Joback Calculated Property |
| Tc | 914.44 | K | Joback Calculated Property |
| Tfus | 368.81 | K | Joback Calculated Property |
| Vc | 0.677 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [467.27; 545.78] | J/mol×K | [671.81; 914.44] |
|
| Cp,gas | 467.27 | J/mol×K | 671.81 | Joback Calculated Property |
| Cp,gas | 483.41 | J/mol×K | 712.25 | Joback Calculated Property |
| Cp,gas | 498.25 | J/mol×K | 752.69 | Joback Calculated Property |
| Cp,gas | 511.85 | J/mol×K | 793.13 | Joback Calculated Property |
| Cp,gas | 524.26 | J/mol×K | 833.56 | Joback Calculated Property |
| Cp,gas | 535.55 | J/mol×K | 874.00 | Joback Calculated Property |
| Cp,gas | 545.78 | J/mol×K | 914.44 | Joback Calculated Property |
| η | [0.0001264; 0.0018537] | Pa×s | [368.81; 671.81] |
|
| η | 0.0018537 | Pa×s | 368.81 | Joback Calculated Property |
| η | 0.0009050 | Pa×s | 419.31 | Joback Calculated Property |
| η | 0.0005154 | Pa×s | 469.81 | Joback Calculated Property |
| η | 0.0003275 | Pa×s | 520.31 | Joback Calculated Property |
| η | 0.0002254 | Pa×s | 570.81 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 621.31 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 671.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 1-phenylethyl ester.
Sources
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