- 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
- C[C@H]1CCC[C@H](O)C1
- Molecular Weight1
- 114.19
- CAS
- 7443-55-2
- Other Names
-
- 3-Methyl cyclohexanol, trans
- 3-Methylcyclohexanol, (E)-
- Cyclohexanol, 3-methyl-, trans-
- ω : Acentric Factor.
- 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).
- 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.
- Ip : 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 | 0.4359 | Relay (1.0) Calculated Property | |
| 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 | -302.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°liquid | -421.66 | kJ/mol | NIST |
| ΔfusH° | 10.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.61 | Relay (1.0) 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 | |
| Ip | [1459.00; 1459.00] |
|
|
| Ip | 1459.00 | NIST | |
| Ip | 1459.00 | NIST | |
| Tboil | 441.18 | K | Relay (1.0) Calculated Property |
| Tc | 654.30 | K | Relay (1.0) Calculated Property |
| Tfus | 262.57 | K | Relay (1.0) Calculated Property |
| Vc | 0.396 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.63; 390.87] | 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 | -5.78500e+01 | |||
| Coefficient B | 7.98420e-01 | |||
| Coefficient C | -4.13000e-04 | |||
| Coefficient D | 6.33000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.73 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 216.31 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.59 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.75 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 313.00 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 337.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 358.56 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 376.27 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 390.87 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0550246; 0.0002314] | Pa×s | [232.61; 461.56] |
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 | -1.39302e+01 | |||
| Coefficient B | 2.56573e+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. | 232.61 | |||
| Temperature range, max. | 461.56 | |||
| η | 0.0550246 | Pa×s | 232.61 | Calculated Property |
| η | 0.0185486 | Pa×s | 258.05 | Calculated Property |
| η | 0.0076001 | Pa×s | 283.49 | Calculated Property |
| η | 0.0036070 | Pa×s | 308.93 | Calculated Property |
| η | 0.0019174 | Pa×s | 334.37 | Calculated Property |
| η | 0.0011146 | Pa×s | 359.81 | Calculated Property |
| η | 0.0006960 | Pa×s | 385.25 | Calculated Property |
| η | 0.0004607 | Pa×s | 410.68 | Calculated Property |
| η | 0.0003200 | Pa×s | 436.12 | Calculated Property |
| η | 0.0002314 | Pa×s | 461.56 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [342.72; 458.23] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 | |||
| 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 Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 9.46194e+01 | |||
| Coefficient B | -1.02460e+04 | |||
| Coefficient C | -1.10847e+01 | |||
| Coefficient D | 3.73987e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 272.65 | |||
| Temperature range, max. | 617.00 | |||
| 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
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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