- 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).
- 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).
- IE : Ionization energy (eV).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -555.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.45 | 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 |
| IE | 9.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.053 | Crippen Calculated Property | |
| McVol | 162.430 | ml/mol | McGowan Calculated Property |
| Pc | 2347.36 | kPa | Joback Calculated Property |
| Inp | [1299.00; 1310.00] |
|
|
| Inp | 1299.00 | NIST | |
| Inp | 1310.00 | NIST | |
| I | 1595.00 | NIST | |
| Tboil | 500.10 | K | Relay (1.0) Calculated Property |
| Tc | 713.52 | K | Relay (1.0) Calculated Property |
| Tfus | 216.51 | K | Relay (1.0) Calculated Property |
| Ttriple | 222.40 ± 0.15 | K | NIST |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 63.60 | kJ/mol | 299.54 | Comprehensive Study of Vapor Pressures and Enthalpies of Vaporization of Cyclohexyl Esters |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.05; 580.01] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -4.73070e+01 | |||
| Coefficient B | 1.11612e+00 | |||
| Coefficient C | -5.61000e-04 | |||
| Coefficient D | 7.22000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 217.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 280.53 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 337.70 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 388.76 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 433.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 473.54 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 507.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 536.68 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 560.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 580.01 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0071161; 0.0002340] | Pa×s | [263.44; 510.13] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.20065e+01 | |||
| Coefficient B | 1.86019e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 263.44 | |||
| Temperature range, max. | 510.13 | |||
| η | 0.0071161 | Pa×s | 263.44 | Calculated Property |
| η | 0.0036580 | Pa×s | 290.85 | Calculated Property |
| η | 0.0021087 | Pa×s | 318.26 | Calculated Property |
| η | 0.0013266 | Pa×s | 345.67 | Calculated Property |
| η | 0.0008934 | Pa×s | 373.08 | Calculated Property |
| η | 0.0006351 | Pa×s | 400.49 | Calculated Property |
| η | 0.0004716 | Pa×s | 427.90 | Calculated Property |
| η | 0.0003630 | Pa×s | 455.31 | Calculated Property |
| η | 0.0002879 | Pa×s | 482.72 | Calculated Property |
| η | 0.0002340 | Pa×s | 510.13 | Calculated Property |
Similar Compounds
Find more compounds similar to Pentanoic acid, cyclohexyl ester.
Sources
- Cheméo Relay (1.0)
- 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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