- InChI
- InChI=1S/C14H12O2/c15-14(11-12-7-3-1-4-8-12)16-13-9-5-2-6-10-13/h1-10H,11H2
- InChI Key
- USVNNHYNCCJCCP-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- O=C(Cc1ccccc1)Oc1ccccc1
- Molecular Weight1
- 212.24
- CAS
- 722-01-0
- Other Names
-
- Phenylacetic acid, phenyl 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° | 57.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -104.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 22.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.47 | kJ/mol | Joback Calculated Property |
| log10WS | -3.40 | Crippen Calculated Property | |
| logPoct/wat | 2.835 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 2909.25 | kPa | Joback Calculated Property |
| Inp | [1772.00; 1772.00] |
|
|
| Inp | 1772.00 | NIST | |
| Inp | 1772.00 | NIST | |
| Tboil | 649.37 | K | Joback Calculated Property |
| Tc | 892.14 | K | Joback Calculated Property |
| Tfus | 372.54 | K | Joback Calculated Property |
| Vc | 0.627 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [415.95; 490.57] | J/mol×K | [649.37; 892.14] |
|
| Cp,gas | 415.95 | J/mol×K | 649.37 | Joback Calculated Property |
| Cp,gas | 431.27 | J/mol×K | 689.83 | Joback Calculated Property |
| Cp,gas | 445.36 | J/mol×K | 730.29 | Joback Calculated Property |
| Cp,gas | 458.28 | J/mol×K | 770.75 | Joback Calculated Property |
| Cp,gas | 470.08 | J/mol×K | 811.21 | Joback Calculated Property |
| Cp,gas | 480.83 | J/mol×K | 851.67 | Joback Calculated Property |
| Cp,gas | 490.57 | J/mol×K | 892.14 | Joback Calculated Property |
| η | [0.0001512; 0.0016037] | Pa×s | [372.54; 649.37] |
|
| η | 0.0016037 | Pa×s | 372.54 | Joback Calculated Property |
| η | 0.0008710 | Pa×s | 418.68 | Joback Calculated Property |
| η | 0.0005339 | Pa×s | 464.82 | Joback Calculated Property |
| η | 0.0003576 | Pa×s | 510.96 | Joback Calculated Property |
| η | 0.0002559 | Pa×s | 557.09 | Joback Calculated Property |
| η | 0.0001928 | Pa×s | 603.23 | Joback Calculated Property |
| η | 0.0001512 | Pa×s | 649.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, phenyl ester.
Sources
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