- InChI
- InChI=1S/C13H18O2/c1-9(2)11(4)15-13(14)12-7-5-10(3)6-8-12/h5-9,11H,1-4H3
- InChI Key
- UWWVEOGQBMAWBE-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- Cc1ccc(C(=O)OC(C)C(C)C)cc1
- Molecular Weight1
- 206.28
- CAS
- 212261-12-6
- Other Names
-
- 4-Methylbenzoic acid, 3-methylbut-2-yl 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° | -77.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -341.95 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.85 | kJ/mol | Joback Calculated Property |
| log10WS | -3.73 | Crippen Calculated Property | |
| logPoct/wat | 3.196 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2293.71 | kPa | Joback Calculated Property |
| Inp | 1530.00 | NIST | |
| Tboil | 603.91 | K | Joback Calculated Property |
| Tc | 816.07 | K | Joback Calculated Property |
| Tfus | 317.37 | K | Joback Calculated Property |
| Vc | 0.667 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.86; 528.17] | J/mol×K | [603.91; 816.07] | 
|
| Cp,gas | 443.86 | J/mol×K | 603.91 | Joback Calculated Property |
| Cp,gas | 460.17 | J/mol×K | 639.27 | Joback Calculated Property |
| Cp,gas | 475.54 | J/mol×K | 674.63 | Joback Calculated Property |
| Cp,gas | 490.01 | J/mol×K | 709.99 | Joback Calculated Property |
| Cp,gas | 503.59 | J/mol×K | 745.35 | Joback Calculated Property |
| Cp,gas | 516.30 | J/mol×K | 780.71 | Joback Calculated Property |
| Cp,gas | 528.17 | J/mol×K | 816.07 | Joback Calculated Property |
| η | [0.0001436; 0.0026930] | Pa×s | [317.37; 603.91] |
|
| η | 0.0026930 | Pa×s | 317.37 | Joback Calculated Property |
| η | 0.0012004 | Pa×s | 365.13 | Joback Calculated Property |
| η | 0.0006450 | Pa×s | 412.88 | Joback Calculated Property |
| η | 0.0003943 | Pa×s | 460.64 | Joback Calculated Property |
| η | 0.0002643 | Pa×s | 508.40 | Joback Calculated Property |
| η | 0.0001898 | Pa×s | 556.15 | Joback Calculated Property |
| η | 0.0001436 | Pa×s | 603.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-methyl-, 3-methyl-2-butyl ester.
Sources
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