- InChI
- InChI=1S/C7H14O/c1-6-2-4-7(8)5-3-6/h6-8H,2-5H2,1H3/t6-,7-
- InChI Key
- MQWCXKGKQLNYQG-LJGSYFOKSA-N
- Formula
- C7H14O
- SMILES
- CC1CCC(O)CC1
- Molecular Weight1
- 114.19
- CAS
- 7731-29-5
- Other Names
-
- 4-Methyl cyclohexanol, trans-
- 4-Methylcyclohexanol, (E)-
- trans-4-Methylcyclohexanol
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- Pvap : Vapor 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 |
|---|---|---|---|
| ΔcH°liquid | [-4317.80; -4316.80] | kJ/mol |
|
| ΔcH°liquid | -4317.80 ± 4.60 | kJ/mol | NIST |
| ΔcH°liquid | -4316.80 ± 4.80 | kJ/mol | NIST |
| ΔfG° | -112.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.06 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -438.61 | kJ/mol | NIST |
| ΔfusH° | 10.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.97 | kJ/mol | Joback Calculated Property |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 1.557 | Crippen Calculated Property | |
| McVol | 104.500 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Inp | [964.00; 964.00] |
|
|
| Inp | 964.00 | NIST | |
| Inp | 964.00 | NIST | |
| I | [1447.00; 1456.00] |
|
|
| I | 1447.00 | NIST | |
| I | 1456.00 | NIST | |
| Tboil | 446.70 | K | NIST |
| Tc | 659.09 | K | Joback Calculated Property |
| Tfus | 232.61 | K | Joback Calculated Property |
| Vc | 0.379 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.22; 307.10] | J/mol×K | [466.62; 659.09] |
|
| Cp,gas | 231.22 | J/mol×K | 466.62 | Joback Calculated Property |
| Cp,gas | 245.46 | J/mol×K | 498.70 | Joback Calculated Property |
| Cp,gas | 259.05 | J/mol×K | 530.78 | Joback Calculated Property |
| Cp,gas | 271.99 | J/mol×K | 562.86 | Joback Calculated Property |
| Cp,gas | 284.31 | J/mol×K | 594.94 | Joback Calculated Property |
| Cp,gas | 296.01 | J/mol×K | 627.01 | Joback Calculated Property |
| Cp,gas | 307.10 | J/mol×K | 659.09 | Joback Calculated Property |
| η | [0.0002179; 0.0550246] | Pa×s | [232.61; 466.62] |
|
| η | 0.0550246 | Pa×s | 232.61 | Joback Calculated Property |
| η | 0.0112900 | Pa×s | 271.61 | Joback Calculated Property |
| η | 0.0034480 | Pa×s | 310.61 | Joback Calculated Property |
| η | 0.0013721 | Pa×s | 349.62 | Joback Calculated Property |
| η | 0.0006569 | Pa×s | 388.62 | Joback Calculated Property |
| η | 0.0003597 | Pa×s | 427.62 | Joback Calculated Property |
| η | 0.0002179 | Pa×s | 466.62 | Joback Calculated Property |
| ΔvapH | 52.10 | kJ/mol | 345.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [340.32; 458.99] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.69830e+01 | |||
| Coefficient B | -4.60285e+03 | |||
| Coefficient C | -6.46240e+01 | |||
| Temperature range, min. | 340.32 | |||
| Temperature range, max. | 458.99 | |||
| Pvap | 1.33 | kPa | 340.32 | Calculated Property |
| Pvap | 2.86 | kPa | 353.51 | Calculated Property |
| Pvap | 5.73 | kPa | 366.69 | Calculated Property |
| Pvap | 10.83 | kPa | 379.88 | Calculated Property |
| Pvap | 19.46 | kPa | 393.06 | Calculated Property |
| Pvap | 33.43 | kPa | 406.25 | Calculated Property |
| Pvap | 55.16 | kPa | 419.43 | Calculated Property |
| Pvap | 87.80 | kPa | 432.62 | Calculated Property |
| Pvap | 135.33 | kPa | 445.80 | Calculated Property |
| Pvap | 202.64 | kPa | 458.99 | Calculated Property |
| Pvap | [0.47; 3763.44] | kPa | [327.15; 622.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 1.84458e+02 | |||
| Coefficient B | -1.44915e+04 | |||
| Coefficient C | -2.45879e+01 | |||
| Coefficient D | 1.35587e-05 | |||
| Temperature range, min. | 327.15 | |||
| Temperature range, max. | 622.00 | |||
| Pvap | 0.47 | kPa | 327.15 | Calculated Property |
| Pvap | 3.42 | kPa | 359.91 | Calculated Property |
| Pvap | 16.13 | kPa | 392.67 | Calculated Property |
| Pvap | 55.48 | kPa | 425.43 | Calculated Property |
| Pvap | 151.41 | kPa | 458.19 | Calculated Property |
| Pvap | 348.64 | kPa | 490.96 | Calculated Property |
| Pvap | 708.31 | kPa | 523.72 | Calculated Property |
| Pvap | 1312.68 | kPa | 556.48 | Calculated Property |
| Pvap | 2275.84 | kPa | 589.24 | Calculated Property |
| Pvap | 3763.44 | kPa | 622.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexanol, 4-methyl-, trans-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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