- InChI
- InChI=1S/C12H22O2/c1-9(2)10(3)14-12(13)11-7-5-4-6-8-11/h9-11H,4-8H2,1-3H3
- InChI Key
- VJIWTPJDGKMXCO-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(C)C(C)OC(=O)C1CCCCC1
- Molecular Weight1
- 198.30
- 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° | -164.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -492.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.11 | kJ/mol | Joback Calculated Property |
| log10WS | -3.23 | Crippen Calculated Property | |
| logPoct/wat | 3.154 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2261.11 | kPa | Joback Calculated Property |
| Inp | 1361.00 | NIST | |
| Tboil | 568.92 | K | Joback Calculated Property |
| Tc | 776.71 | K | Joback Calculated Property |
| Tfus | 274.54 | K | Joback Calculated Property |
| Vc | 0.652 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [455.09; 559.32] | J/mol×K | [568.92; 776.71] | 
|
| Cp,gas | 455.09 | J/mol×K | 568.92 | Joback Calculated Property |
| Cp,gas | 475.09 | J/mol×K | 603.55 | Joback Calculated Property |
| Cp,gas | 494.01 | J/mol×K | 638.18 | Joback Calculated Property |
| Cp,gas | 511.87 | J/mol×K | 672.82 | Joback Calculated Property |
| Cp,gas | 528.70 | J/mol×K | 707.45 | Joback Calculated Property |
| Cp,gas | 544.51 | J/mol×K | 742.08 | Joback Calculated Property |
| Cp,gas | 559.32 | J/mol×K | 776.71 | Joback Calculated Property |
| η | [0.0001769; 0.0077961] | Pa×s | [274.54; 568.92] |
|
| η | 0.0077961 | Pa×s | 274.54 | Joback Calculated Property |
| η | 0.0025713 | Pa×s | 323.60 | Joback Calculated Property |
| η | 0.0011357 | Pa×s | 372.67 | Joback Calculated Property |
| η | 0.0006067 | Pa×s | 421.73 | Joback Calculated Property |
| η | 0.0003693 | Pa×s | 470.79 | Joback Calculated Property |
| η | 0.0002469 | Pa×s | 519.86 | Joback Calculated Property |
| η | 0.0001769 | Pa×s | 568.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 3-methylbut-2-yl ester.
Sources
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