- InChI
- InChI=1S/C11H20O2/c1-9(2)8-11(12)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
- InChI Key
- SQPOKBBCNZIWFI-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CC(C)CC(=O)OC1CCCCC1
- Molecular Weight1
- 184.28
- CAS
- 7774-44-9
- Other Names
-
- Isovaleric acid cyclohexyl ester
- Butanoic acid, 3-methyl-, cyclohexyl ester
- 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.
- I : 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° | -170.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -466.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.05 | Crippen Calculated Property | |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2462.92 | kPa | Joback Calculated Property |
| Inp | 1264.00 | NIST | |
| I | 1527.00 | NIST | |
| Tboil | 546.48 | K | Joback Calculated Property |
| Tc | 753.14 | K | Joback Calculated Property |
| Tfus | 278.27 | K | Joback Calculated Property |
| Vc | 0.603 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.33; 503.73] | J/mol×K | [546.48; 753.14] | 
|
| Cp,gas | 404.33 | J/mol×K | 546.48 | Joback Calculated Property |
| Cp,gas | 423.31 | J/mol×K | 580.92 | Joback Calculated Property |
| Cp,gas | 441.31 | J/mol×K | 615.37 | Joback Calculated Property |
| Cp,gas | 458.33 | J/mol×K | 649.81 | Joback Calculated Property |
| Cp,gas | 474.40 | J/mol×K | 684.25 | Joback Calculated Property |
| Cp,gas | 489.53 | J/mol×K | 718.70 | Joback Calculated Property |
| Cp,gas | 503.73 | J/mol×K | 753.14 | Joback Calculated Property |
| η | [0.0002083; 0.0057025] | Pa×s | [278.27; 546.48] |
|
| η | 0.0057025 | Pa×s | 278.27 | Joback Calculated Property |
| η | 0.0022424 | Pa×s | 322.97 | Joback Calculated Property |
| η | 0.0011064 | Pa×s | 367.67 | Joback Calculated Property |
| η | 0.0006363 | Pa×s | 412.38 | Joback Calculated Property |
| η | 0.0004077 | Pa×s | 457.08 | Joback Calculated Property |
| η | 0.0002828 | Pa×s | 501.78 | Joback Calculated Property |
| η | 0.0002083 | Pa×s | 546.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexyl isovalerate.
Sources
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