- InChI
- InChI=1S/C13H18O2/c1-9-6-10(2)8-11(7-9)15-12(14)13(3,4)5/h6-8H,1-5H3
- InChI Key
- UHUMTAJLAWWWEZ-UHFFFAOYSA-N
- Formula
- C13H18O2
- SMILES
- Cc1cc(C)cc(OC(=O)C(C)(C)C)c1
- Molecular Weight1
- 206.28
- 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° | -79.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -351.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.99 | kJ/mol | Joback Calculated Property |
| log10WS | -3.75 | Crippen Calculated Property | |
| logPoct/wat | 3.255 | Crippen Calculated Property | |
| McVol | 177.710 | ml/mol | McGowan Calculated Property |
| Pc | 2267.57 | kPa | Joback Calculated Property |
| Inp | [1400.00; 1400.00] |
|
|
| Inp | 1400.00 | NIST | |
| Inp | 1400.00 | NIST | |
| Tboil | 606.54 | K | Joback Calculated Property |
| Tc | 823.30 | K | Joback Calculated Property |
| Tfus | 362.31 | K | Joback Calculated Property |
| Vc | 0.668 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.89; 528.68] | J/mol×K | [606.54; 823.30] |
|
| Cp,gas | 445.89 | J/mol×K | 606.54 | Joback Calculated Property |
| Cp,gas | 462.03 | J/mol×K | 642.67 | Joback Calculated Property |
| Cp,gas | 477.18 | J/mol×K | 678.79 | Joback Calculated Property |
| Cp,gas | 491.39 | J/mol×K | 714.92 | Joback Calculated Property |
| Cp,gas | 504.69 | J/mol×K | 751.05 | Joback Calculated Property |
| Cp,gas | 517.11 | J/mol×K | 787.17 | Joback Calculated Property |
| Cp,gas | 528.68 | J/mol×K | 823.30 | Joback Calculated Property |
| η | [0.0001438; 0.0014420] | Pa×s | [362.31; 606.54] |
|
| η | 0.0014420 | Pa×s | 362.31 | Joback Calculated Property |
| η | 0.0008088 | Pa×s | 403.01 | Joback Calculated Property |
| η | 0.0005044 | Pa×s | 443.72 | Joback Calculated Property |
| η | 0.0003406 | Pa×s | 484.42 | Joback Calculated Property |
| η | 0.0002444 | Pa×s | 525.13 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 565.83 | Joback Calculated Property |
| η | 0.0001438 | Pa×s | 606.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-Dimethylpropanoic acid, 3,5-dimethylphenyl ester.
Sources
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