- InChI
- InChI=1S/C12H16O2/c1-9-6-5-7-10(8-9)14-11(13)12(2,3)4/h5-8H,1-4H3
- InChI Key
- CHJUBXZEBVYVQV-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- Cc1cccc(OC(=O)C(C)(C)C)c1
- Molecular Weight1
- 192.25
- 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° | -78.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.10 | kJ/mol | Joback Calculated Property |
| log10WS | -3.28 | Crippen Calculated Property | |
| logPoct/wat | 2.947 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2527.73 | kPa | Joback Calculated Property |
| Inp | 1315.00 | NIST | |
| Tboil | 578.68 | K | Joback Calculated Property |
| Tc | 798.32 | K | Joback Calculated Property |
| Tfus | 338.52 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [397.08; 477.58] | J/mol×K | [578.68; 798.32] | 
|
| Cp,gas | 397.08 | J/mol×K | 578.68 | Joback Calculated Property |
| Cp,gas | 412.88 | J/mol×K | 615.29 | Joback Calculated Property |
| Cp,gas | 427.67 | J/mol×K | 651.89 | Joback Calculated Property |
| Cp,gas | 441.50 | J/mol×K | 688.50 | Joback Calculated Property |
| Cp,gas | 454.39 | J/mol×K | 725.10 | Joback Calculated Property |
| Cp,gas | 466.41 | J/mol×K | 761.71 | Joback Calculated Property |
| Cp,gas | 477.58 | J/mol×K | 798.32 | Joback Calculated Property |
| η | [0.0001630; 0.0019665] | Pa×s | [338.52; 578.68] |
|
| η | 0.0019665 | Pa×s | 338.52 | Joback Calculated Property |
| η | 0.0010426 | Pa×s | 378.55 | Joback Calculated Property |
| η | 0.0006241 | Pa×s | 418.57 | Joback Calculated Property |
| η | 0.0004086 | Pa×s | 458.60 | Joback Calculated Property |
| η | 0.0002864 | Pa×s | 498.63 | Joback Calculated Property |
| η | 0.0002116 | Pa×s | 538.65 | Joback Calculated Property |
| η | 0.0001630 | Pa×s | 578.68 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, 3-methylphenyl ester.
Sources
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