- InChI
- InChI=1S/C10H18O2/c1-2-9(10(11)12)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3,(H,11,12)
- InChI Key
- RPXFDOOFVNTCQA-UHFFFAOYSA-N
- Formula
- C10H18O2
- SMILES
- CCC(C(=O)O)C1CCCCC1
- Molecular Weight1
- 170.25
- CAS
- 6051-00-9
- Other Names
-
- 2-Cyclohexyl-n-butyric acid
- 2-Cyclohexylbutanoic acid
- «alpha»-Ethylcyclohexaneacetic acid
- Alpha-ethylcyclohexaneacetic acid
- 2-cyclohexylbutyric acid
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.6210 | Relay (1.0) Calculated Property | |
| ΔfusH° | 20.11 | kJ/mol | Joback Calculated Property |
| IE | 9.85 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.678 | Crippen Calculated Property | |
| McVol | 148.340 | ml/mol | McGowan Calculated Property |
| Pc | 2841.41 | kPa | Joback Calculated Property |
| Tboil | 525.04 | K | Relay (1.0) Calculated Property |
| Tc | 756.15 | K | Relay (1.0) Calculated Property |
| Tfus | 306.02 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [192.81; 531.63] | 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 | -6.88890e+01 | |||
| Coefficient B | 1.13262e+00 | |||
| Coefficient C | -6.77000e-04 | |||
| Coefficient D | 1.44900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 192.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 253.49 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 307.34 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 354.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 396.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 432.52 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 463.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 490.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 512.74 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 531.63 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025521; 0.0002574] | Pa×s | [355.44; 567.36] |
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 | -1.21127e+01 | |||
| Coefficient B | 2.18307e+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. | 355.44 | |||
| Temperature range, max. | 567.36 | |||
| η | 0.0025521 | Pa×s | 355.44 | Calculated Property |
| η | 0.0017425 | Pa×s | 378.99 | Calculated Property |
| η | 0.0012440 | Pa×s | 402.53 | Calculated Property |
| η | 0.0009219 | Pa×s | 426.08 | Calculated Property |
| η | 0.0007049 | Pa×s | 449.63 | Calculated Property |
| η | 0.0005536 | Pa×s | 473.17 | Calculated Property |
| η | 0.0004449 | Pa×s | 496.72 | Calculated Property |
| η | 0.0003646 | Pa×s | 520.27 | Calculated Property |
| η | 0.0003040 | Pa×s | 543.81 | Calculated Property |
| η | 0.0002574 | Pa×s | 567.36 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexaneacetic acid, «alpha»-ethyl-.
Sources
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