- InChI
- InChI=1S/C12H16O2/c1-9(2)8-14-12(13)11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3
- InChI Key
- IELVQABKIBOBRG-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- Cc1ccc(C(=O)OCC(C)C)cc1
- Molecular Weight1
- 192.25
- CAS
- 29240-30-0
- Other Names
-
- p-Toluic acid, isobutyl ester
- Isobutyl 4-methylbenzoate
- 2-Methylpropyl 4-methylbenzoate
- 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).
- 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° | -83.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -316.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.01 | kJ/mol | Joback Calculated Property |
| log10WS | -3.20 | Crippen Calculated Property | |
| logPoct/wat | 2.808 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2500.00 | kPa | Joback Calculated Property |
| Tboil | 581.47 | K | Joback Calculated Property |
| Tc | 792.78 | K | Joback Calculated Property |
| Tfus | 321.10 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [394.16; 473.55] | J/mol×K | [581.47; 792.78] | 
|
| Cp,gas | 394.16 | J/mol×K | 581.47 | Joback Calculated Property |
| Cp,gas | 409.45 | J/mol×K | 616.69 | Joback Calculated Property |
| Cp,gas | 423.89 | J/mol×K | 651.91 | Joback Calculated Property |
| Cp,gas | 437.50 | J/mol×K | 687.12 | Joback Calculated Property |
| Cp,gas | 450.30 | J/mol×K | 722.34 | Joback Calculated Property |
| Cp,gas | 462.32 | J/mol×K | 757.56 | Joback Calculated Property |
| Cp,gas | 473.55 | J/mol×K | 792.78 | Joback Calculated Property |
| η | [0.0001687; 0.0021607] | Pa×s | [321.10; 581.47] |
|
| η | 0.0021607 | Pa×s | 321.10 | Joback Calculated Property |
| η | 0.0010969 | Pa×s | 364.50 | Joback Calculated Property |
| η | 0.0006432 | Pa×s | 407.89 | Joback Calculated Property |
| η | 0.0004180 | Pa×s | 451.29 | Joback Calculated Property |
| η | 0.0002929 | Pa×s | 494.68 | Joback Calculated Property |
| η | 0.0002174 | Pa×s | 538.08 | Joback Calculated Property |
| η | 0.0001687 | Pa×s | 581.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 4-methyl-, 2-methylpropyl ester.
Sources
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