- InChI
- InChI=1S/C7H14O/c1-6-3-2-4-7(8)5-6/h6-8H,2-5H2,1H3/t6-,7-/m0/s1
- InChI Key
- HTSABYAWKQAHBT-BQBZGAKWSA-N
- Formula
- C7H14O
- SMILES
- CC1CCCC(O)C1
- Molecular Weight1
- 114.19
- CAS
- 7443-55-2
- Other Names
-
- 3-Methyl cyclohexanol, trans
- 3-Methylcyclohexanol, (E)-
- Cyclohexanol, 3-methyl-, trans-
- 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).
- 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 | [-4356.50; -4333.70] | kJ/mol |
|
| ΔcH°liquid | -4356.50 ± 3.30 | kJ/mol | NIST |
| ΔcH°liquid | -4333.70 ± 3.30 | kJ/mol | NIST |
| ΔfG° | -112.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -306.06 | kJ/mol | Joback Calculated Property |
| ΔfH°liquid | -421.66 | 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 | [1459.00; 1459.00] |
|
|
| I | 1459.00 | NIST | |
| I | 1459.00 | NIST | |
| Tboil | 466.62 | K | Joback Calculated Property |
| 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] |
|
|
T(K) Ideal gas heat capacity (J/mol×K) 240 260 280 300 500 550 600 650 | ||||
| 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] |
|
|
T(K) Dynamic viscosity (Pa×s) 0 0.01 0.02 0.03 0.04 0.05 0.06 300 400 | ||||
| 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 |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [342.72; 458.23] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.73701e+01 | |||
| Coefficient B | -4.73634e+03 | |||
| Coefficient C | -6.54580e+01 | |||
| Temperature range, min. | 342.72 | |||
| Temperature range, max. | 458.23 | |||
|
T(K) Vapor pressure (kPa) 0 50 100 150 200 350 400 450 | ||||
| Pvap | 1.33 | kPa | 342.72 | Calculated Property |
| Pvap | 2.84 | kPa | 355.55 | Calculated Property |
| Pvap | 5.67 | kPa | 368.39 | Calculated Property |
| Pvap | 10.70 | kPa | 381.22 | Calculated Property |
| Pvap | 19.23 | kPa | 394.06 | Calculated Property |
| Pvap | 33.06 | kPa | 406.89 | Calculated Property |
| Pvap | 54.64 | kPa | 419.73 | Calculated Property |
| Pvap | 87.20 | kPa | 432.56 | Calculated Property |
| Pvap | 134.83 | kPa | 445.40 | Calculated Property |
| Pvap | 202.63 | kPa | 458.23 | Calculated Property |
| Pvap | [7.85e-03; 3711.33] | kPa | [272.65; 617.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 9.46194e+01 | |||
| Coefficient B | -1.02460e+04 | |||
| Coefficient C | -1.10847e+01 | |||
| Coefficient D | 3.73987e-06 | |||
| Temperature range, min. | 272.65 | |||
| Temperature range, max. | 617.00 | |||
|
T(K) Vapor pressure (kPa) 0 500 1000 1500 2000 2500 3000 3500 4000 300 400 500 600 | ||||
| Pvap | 7.85e-03 | kPa | 272.65 | Calculated Property |
| Pvap | 0.20 | kPa | 310.91 | Calculated Property |
| Pvap | 2.28 | kPa | 349.17 | Calculated Property |
| Pvap | 14.51 | kPa | 387.43 | Calculated Property |
| Pvap | 61.84 | kPa | 425.69 | Calculated Property |
| Pvap | 196.89 | kPa | 463.96 | Calculated Property |
| Pvap | 505.20 | kPa | 502.22 | Calculated Property |
| Pvap | 1101.63 | kPa | 540.48 | Calculated Property |
| Pvap | 2121.36 | kPa | 578.74 | Calculated Property |
| Pvap | 3711.33 | kPa | 617.00 | Calculated Property |
Similar Compounds
Find more compounds similar to trans-3-Methylcyclohexanol.
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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