- InChI
- InChI=1S/C11H14O4/c1-6-5-8(12)7(2)10(14-3)9(6)11(13)15-4/h5,12H,1-4H3
- InChI Key
- LPHVUYDIEIQKTA-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- COC(=O)c1c(C)cc(O)c(C)c1OC
- Molecular Weight1
- 210.23
- CAS
- 34874-75-4
- 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).
- 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 | 0.7321 | Relay (... Calculated Property | |
| ΔfG° | -368.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.10 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 26.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.59 | kJ/mol | Relay (... Calculated Property |
| IE | 7.92 | eV | Relay (... Calculated Property |
| log10WS | -2.24 | Relay (... Calculated Property | |
| logPoct/wat | 1.804 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 3052.41 | kPa | Joback Calculated Property |
| Tboil | 563.41 | K | Relay (... Calculated Property |
| Tc | 796.71 | K | Relay (... Calculated Property |
| Tfus | 390.80 | K | Relay (... Calculated Property |
| Vc | 0.582 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.30; 483.20] | J/mol×K | [672.03; 891.40] | 
|
| Cp,gas | 419.30 | J/mol×K | 672.03 | Joback Calculated Property |
| Cp,gas | 431.47 | J/mol×K | 708.59 | Joback Calculated Property |
| Cp,gas | 443.00 | J/mol×K | 745.15 | Joback Calculated Property |
| Cp,gas | 453.91 | J/mol×K | 781.71 | Joback Calculated Property |
| Cp,gas | 464.23 | J/mol×K | 818.28 | Joback Calculated Property |
| Cp,gas | 473.99 | J/mol×K | 854.84 | Joback Calculated Property |
| Cp,gas | 483.20 | J/mol×K | 891.40 | Joback Calculated Property |
| η | [0.0000165; 0.0001903] | Pa×s | [483.82; 672.03] |
|
| η | 0.0001903 | Pa×s | 483.82 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 515.19 | Joback Calculated Property |
| η | 0.0000698 | Pa×s | 546.56 | Joback Calculated Property |
| η | 0.0000458 | Pa×s | 577.92 | Joback Calculated Property |
| η | 0.0000315 | Pa×s | 609.29 | Joback Calculated Property |
| η | 0.0000224 | Pa×s | 640.66 | Joback Calculated Property |
| η | 0.0000165 | Pa×s | 672.03 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-hydroxy-2-methoxy-3,6-dimethyl-, methyl ester.
Sources
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