- InChI
- InChI=1S/C12H16O2/c1-8(2)12(13)14-11-6-9(3)5-10(4)7-11/h5-8H,1-4H3
- InChI Key
- UOOFSZVGPNDGKG-UHFFFAOYSA-N
- Formula
- C12H16O2
- SMILES
- Cc1cc(C)cc(OC(=O)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° | -93.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -327.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.67 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 2.865 | Crippen Calculated Property | |
| McVol | 163.620 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | [1381.00; 1381.00] |
|
|
| Inp | 1381.00 | NIST | |
| Inp | 1381.00 | NIST | |
| Tboil | 586.45 | K | Joback Calculated Property |
| Tc | 798.75 | K | Joback Calculated Property |
| Tfus | 333.62 | K | Joback Calculated Property |
| Vc | 0.618 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.82; 472.25] | J/mol×K | [586.45; 798.75] |
|
| Cp,gas | 393.82 | J/mol×K | 586.45 | Joback Calculated Property |
| Cp,gas | 408.86 | J/mol×K | 621.83 | Joback Calculated Property |
| Cp,gas | 423.09 | J/mol×K | 657.22 | Joback Calculated Property |
| Cp,gas | 436.53 | J/mol×K | 692.60 | Joback Calculated Property |
| Cp,gas | 449.20 | J/mol×K | 727.98 | Joback Calculated Property |
| Cp,gas | 461.11 | J/mol×K | 763.37 | Joback Calculated Property |
| Cp,gas | 472.25 | J/mol×K | 798.75 | Joback Calculated Property |
| η | [0.0001653; 0.0016439] | Pa×s | [333.62; 586.45] |
|
| η | 0.0016439 | Pa×s | 333.62 | Joback Calculated Property |
| η | 0.0009045 | Pa×s | 375.76 | Joback Calculated Property |
| η | 0.0005614 | Pa×s | 417.90 | Joback Calculated Property |
| η | 0.0003803 | Pa×s | 460.04 | Joback Calculated Property |
| η | 0.0002750 | Pa×s | 502.17 | Joback Calculated Property |
| η | 0.0002091 | Pa×s | 544.31 | Joback Calculated Property |
| η | 0.0001653 | Pa×s | 586.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methylpropionic acid, 3,5-dimethylphenyl ester.
Sources
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