- InChI
- InChI=1S/C12H22O2/c1-10(2)8-9-14-12(13)11-6-4-3-5-7-11/h10-11H,3-9H2,1-2H3
- InChI Key
- VLALRUKXGDUQFX-UHFFFAOYSA-N
- Formula
- C12H22O2
- SMILES
- CC(C)CCOC(=O)C1CCCCC1
- Molecular Weight1
- 198.30
- CAS
- 25183-19-1
- Other Names
-
- isopentyl cyclohexanecarboxylate
- 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° | -161.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -486.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.50 | kJ/mol | Joback Calculated Property |
| log10WS | -3.12 | Crippen Calculated Property | |
| logPoct/wat | 3.156 | Crippen Calculated Property | |
| McVol | 176.520 | ml/mol | McGowan Calculated Property |
| Pc | 2244.00 | kPa | Joback Calculated Property |
| Inp | [1435.00; 1435.00] |
|
|
| Inp | 1435.00 | NIST | |
| Inp | 1435.00 | NIST | |
| Tboil | 569.36 | K | Joback Calculated Property |
| Tc | 772.89 | K | Joback Calculated Property |
| Tfus | 289.54 | K | Joback Calculated Property |
| Vc | 0.658 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.79; 556.98] | J/mol×K | [569.36; 772.89] |
|
| Cp,gas | 454.79 | J/mol×K | 569.36 | Joback Calculated Property |
| Cp,gas | 474.32 | J/mol×K | 603.28 | Joback Calculated Property |
| Cp,gas | 492.83 | J/mol×K | 637.20 | Joback Calculated Property |
| Cp,gas | 510.33 | J/mol×K | 671.13 | Joback Calculated Property |
| Cp,gas | 526.84 | J/mol×K | 705.05 | Joback Calculated Property |
| Cp,gas | 542.39 | J/mol×K | 738.97 | Joback Calculated Property |
| Cp,gas | 556.98 | J/mol×K | 772.89 | Joback Calculated Property |
| η | [0.0001888; 0.0053547] | Pa×s | [289.54; 569.36] |
|
| η | 0.0053547 | Pa×s | 289.54 | Joback Calculated Property |
| η | 0.0020829 | Pa×s | 336.18 | Joback Calculated Property |
| η | 0.0010198 | Pa×s | 382.81 | Joback Calculated Property |
| η | 0.0005831 | Pa×s | 429.45 | Joback Calculated Property |
| η | 0.0003719 | Pa×s | 476.09 | Joback Calculated Property |
| η | 0.0002571 | Pa×s | 522.72 | Joback Calculated Property |
| η | 0.0001888 | Pa×s | 569.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanecarboxylic acid, 3-methylbutyl ester.
Sources
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