- InChI
- InChI=1S/C15H14O2/c1-12-6-5-7-13(10-12)11-17-15(16)14-8-3-2-4-9-14/h2-10H,11H2,1H3
- InChI Key
- PNDUDVIQWFVXIO-UHFFFAOYSA-N
- Formula
- C15H14O2
- SMILES
- Cc1cccc(COC(=O)c2ccccc2)c1
- Molecular Weight1
- 226.27
- 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 | 0.6042 | Relay (1.0) Calculated Property | |
| ΔfG° | -19.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -179.53 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.63 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.352 | Crippen Calculated Property | |
| McVol | 182.130 | ml/mol | McGowan Calculated Property |
| Pc | 2485.07 | kPa | Joback Calculated Property |
| Inp | 1901.00 | NIST | |
| Tboil | 591.51 | K | Relay (1.0) Calculated Property |
| Tc | 848.28 | K | Relay (1.0) Calculated Property |
| Tfus | 264.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.674 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [461.65; 539.34] | J/mol×K | [659.36; 896.17] | 
|
| Cp,gas | 461.65 | J/mol×K | 659.36 | Joback Calculated Property |
| Cp,gas | 477.60 | J/mol×K | 698.83 | Joback Calculated Property |
| Cp,gas | 492.29 | J/mol×K | 738.30 | Joback Calculated Property |
| Cp,gas | 505.75 | J/mol×K | 777.77 | Joback Calculated Property |
| Cp,gas | 518.05 | J/mol×K | 817.23 | Joback Calculated Property |
| Cp,gas | 529.23 | J/mol×K | 856.70 | Joback Calculated Property |
| Cp,gas | 539.34 | J/mol×K | 896.17 | Joback Calculated Property |
| η | [0.0001211; 0.0015971] | Pa×s | [366.50; 659.36] |
|
| η | 0.0015971 | Pa×s | 366.50 | Joback Calculated Property |
| η | 0.0008071 | Pa×s | 415.31 | Joback Calculated Property |
| η | 0.0004709 | Pa×s | 464.12 | Joback Calculated Property |
| η | 0.0003044 | Pa×s | 512.93 | Joback Calculated Property |
| η | 0.0002122 | Pa×s | 561.74 | Joback Calculated Property |
| η | 0.0001568 | Pa×s | 610.55 | Joback Calculated Property |
| η | 0.0001211 | Pa×s | 659.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, (3-methylphenyl)methyl ester.
Sources
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