- InChI
- InChI=1S/C14H12O2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3
- InChI Key
- LLRZUDIHEZXFGV-UHFFFAOYSA-N
- Formula
- C14H12O2
- SMILES
- Cc1ccc(OC(=O)c2ccccc2)cc1
- Molecular Weight1
- 212.24
- CAS
- 614-34-6
- Other Names
-
- p-Tolyl benzoate
- Benzoic acid, p-tolyl ester
- 4-Methylphenyl benzoate
- p-Cresyl benzoate
- Benzoic acid, 4-tolyl ester
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.5988 | Relay (1.0) Calculated Property | |
| ΔfG° | -28.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -177.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | NIST |
| log10WS | -4.00 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.214 | Crippen Calculated Property | |
| McVol | 168.040 | ml/mol | McGowan Calculated Property |
| Pc | 2741.15 | kPa | Joback Calculated Property |
| Inp | [1764.00; 1764.00] |
|
|
| Inp | 1764.00 | NIST | |
| Inp | 1764.00 | NIST | |
| Tboil | 586.70 | K | Relay (1.0) Calculated Property |
| Tc | 842.91 | K | Relay (1.0) Calculated Property |
| Tfus | 311.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.618 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [411.21; 486.27] | J/mol×K | [636.48; 878.35] |
|
| Cp,gas | 411.21 | J/mol×K | 636.48 | Joback Calculated Property |
| Cp,gas | 426.70 | J/mol×K | 676.79 | Joback Calculated Property |
| Cp,gas | 440.93 | J/mol×K | 717.10 | Joback Calculated Property |
| Cp,gas | 453.95 | J/mol×K | 757.41 | Joback Calculated Property |
| Cp,gas | 465.81 | J/mol×K | 797.73 | Joback Calculated Property |
| Cp,gas | 476.57 | J/mol×K | 838.04 | Joback Calculated Property |
| Cp,gas | 486.27 | J/mol×K | 878.35 | Joback Calculated Property |
| η | [0.0001343; 0.0016859] | Pa×s | [355.23; 636.48] |
|
| η | 0.0016859 | Pa×s | 355.23 | Joback Calculated Property |
| η | 0.0008649 | Pa×s | 402.11 | Joback Calculated Property |
| η | 0.0005100 | Pa×s | 448.98 | Joback Calculated Property |
| η | 0.0003324 | Pa×s | 495.86 | Joback Calculated Property |
| η | 0.0002332 | Pa×s | 542.73 | Joback Calculated Property |
| η | 0.0001731 | Pa×s | 589.61 | Joback Calculated Property |
| η | 0.0001343 | Pa×s | 636.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-methylphenyl ester.
Sources
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