- InChI
- InChI=1S/C11H20O2/c1-2-3-9-11(12)13-10-7-5-4-6-8-10/h10H,2-9H2,1H3
- InChI Key
- YLCHTSSXNSNXSW-UHFFFAOYSA-N
- Formula
- C11H20O2
- SMILES
- CCCCC(=O)OC1CCCCC1
- Molecular Weight1
- 184.28
- CAS
- 1551-43-5
- Other Names
-
- 1-Cyclohexyl pentanoate
- cyclohexyl pentanoate
- cyclohexyl valerate
- valeric acid, 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- Ttriple : Triple Point Temperature (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° | -167.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -460.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [62.40; 67.20] | kJ/mol |
|
| ΔvapH° | 63.70 ± 0.10 | kJ/mol | NIST |
| ΔvapH° | 67.20 ± 0.80 | kJ/mol | NIST |
| ΔvapH° | 63.90 ± 0.40 | kJ/mol | NIST |
| ΔvapH° | 62.40 ± 0.70 | kJ/mol | NIST |
| log10WS | -3.30 | Crippen Calculated Property | |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2443.48 | kPa | Joback Calculated Property |
| Inp | [1299.00; 1310.00] |
|
|
| Inp | 1299.00 | NIST | |
| Inp | 1310.00 | NIST | |
| I | 1595.00 | NIST | |
| Tboil | 546.92 | K | Joback Calculated Property |
| Tc | 749.25 | K | Joback Calculated Property |
| Tfus | 293.27 | K | Joback Calculated Property |
| Ttriple | 222.40 ± 0.15 | K | NIST |
| Vc | 0.609 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.06; 501.43] | J/mol×K | [546.92; 749.25] |
|
| Cp,gas | 404.06 | J/mol×K | 546.92 | Joback Calculated Property |
| Cp,gas | 422.58 | J/mol×K | 580.64 | Joback Calculated Property |
| Cp,gas | 440.17 | J/mol×K | 614.36 | Joback Calculated Property |
| Cp,gas | 456.83 | J/mol×K | 648.08 | Joback Calculated Property |
| Cp,gas | 472.58 | J/mol×K | 681.81 | Joback Calculated Property |
| Cp,gas | 487.44 | J/mol×K | 715.53 | Joback Calculated Property |
| Cp,gas | 501.43 | J/mol×K | 749.25 | Joback Calculated Property |
| η | [0.0002216; 0.0040594] | Pa×s | [293.27; 546.92] |
|
| η | 0.0040594 | Pa×s | 293.27 | Joback Calculated Property |
| η | 0.0018425 | Pa×s | 335.54 | Joback Calculated Property |
| η | 0.0009979 | Pa×s | 377.82 | Joback Calculated Property |
| η | 0.0006115 | Pa×s | 420.09 | Joback Calculated Property |
| η | 0.0004098 | Pa×s | 462.37 | Joback Calculated Property |
| η | 0.0002937 | Pa×s | 504.64 | Joback Calculated Property |
| η | 0.0002216 | Pa×s | 546.92 | Joback Calculated Property |
| ΔvapH | 63.60 | kJ/mol | 299.54 | Compreh... |
Similar Compounds
Find more compounds similar to Pentanoic acid, cyclohexyl ester.
Sources
- Crippen Method
- Crippen Method
- Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters
- Joback Method
- McGowan Method
- NIST Webbook
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