- InChI
- InChI=1S/C9H18O/c1-2-5-8-6-3-4-7-9(8)10/h8-10H,2-7H2,1H3
- InChI Key
- VZBNUCDUQJCIDP-UHFFFAOYSA-N
- Formula
- C9H18O
- SMILES
- CCCC1CCCCC1O
- Molecular Weight1
- 142.24
- CAS
- 5846-43-5
- Other Names
-
- trans-2-Propylcyclohexanol
- ω : Acentric Factor.
- 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).
- 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ω | 0.5212 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -329.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.338 | Crippen Calculated Property | |
| McVol | 132.680 | ml/mol | McGowan Calculated Property |
| Pc | 3025.61 | kPa | Joback Calculated Property |
| Inp | [1138.00; 1138.00] |
|
|
| Inp | 1138.00 | NIST | |
| Inp | 1138.00 | NIST | |
| Tboil | 478.23 | K | Relay (1.0) Calculated Property |
| Tc | 685.89 | K | Relay (1.0) Calculated Property |
| Tfus | 252.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.466 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [173.05; 494.05] | 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 | -5.96680e+01 | |||
| Coefficient B | 9.88420e-01 | |||
| Coefficient C | -5.21800e-04 | |||
| Coefficient D | 8.71000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 173.05 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.56 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.47 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 323.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 362.57 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 397.32 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 427.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 453.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 475.66 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 494.05 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0363477; 0.0002047] | Pa×s | [255.15; 490.52] |
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 | -1.41085e+01 | |||
| Coefficient B | 2.75405e+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. | 255.15 | |||
| Temperature range, max. | 490.52 | |||
| η | 0.0363477 | Pa×s | 255.15 | Calculated Property |
| η | 0.0133251 | Pa×s | 281.30 | Calculated Property |
| η | 0.0057944 | Pa×s | 307.45 | Calculated Property |
| η | 0.0028711 | Pa×s | 333.61 | Calculated Property |
| η | 0.0015755 | Pa×s | 359.76 | Calculated Property |
| η | 0.0009378 | Pa×s | 385.91 | Calculated Property |
| η | 0.0005962 | Pa×s | 412.06 | Calculated Property |
| η | 0.0004001 | Pa×s | 438.21 | Calculated Property |
| η | 0.0002808 | Pa×s | 464.37 | Calculated Property |
| η | 0.0002047 | Pa×s | 490.52 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [350.30; 516.76] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38284e+01 | |||
| Coefficient B | -3.82131e+03 | |||
| Coefficient C | -6.80910e+01 | |||
| Temperature range, min. | 350.30 | |||
| Temperature range, max. | 516.76 | |||
| Pvap | 1.33 | kPa | 350.30 | Calculated Property |
| Pvap | 3.07 | kPa | 368.80 | Calculated Property |
| Pvap | 6.40 | kPa | 387.29 | Calculated Property |
| Pvap | 12.34 | kPa | 405.79 | Calculated Property |
| Pvap | 22.20 | kPa | 424.28 | Calculated Property |
| Pvap | 37.70 | kPa | 442.78 | Calculated Property |
| Pvap | 60.92 | kPa | 461.27 | Calculated Property |
| Pvap | 94.27 | kPa | 479.77 | Calculated Property |
| Pvap | 140.50 | kPa | 498.26 | Calculated Property |
| Pvap | 202.64 | kPa | 516.76 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-PROPYLCYCLOHEXANOL.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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