- InChI
- InChI=1S/C7H12/c1-7-5-3-2-4-6-7/h1-6H2
- InChI Key
- YULMNMJFAZWLLN-UHFFFAOYSA-N
- Formula
- C7H12
- SMILES
- C=C1CCCCC1
- Molecular Weight1
- 96.17
- CAS
- 1192-37-6
- Other Names
-
- 1-Methylenecyclohexane
- Methylenecyclohexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point 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 |
|---|---|---|---|
| ΔcH°liquid | -4412.40 | kJ/mol | NIST |
| ΔfH°gas | 3.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 3.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [36.10; 36.10] | kJ/mol |
|
| ΔvapH° | 36.10 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 36.10 ± 0.30 | kJ/mol | NIST |
| IE | [8.80; 9.70] | eV |
|
| IE | 8.80 | eV | NIST |
| IE | 8.93 ± 0.01 | eV | NIST |
| IE | Outlier 9.70 | eV | NIST |
| IE | 8.94 | eV | NIST |
| IE | 8.97 ± 0.01 | eV | NIST |
| IE | 9.04 ± 0.03 | eV | NIST |
| IE | 9.13 | eV | NIST |
| IE | 9.18 | eV | NIST |
| IE | 9.08 ± 0.01 | eV | NIST |
| IE | 9.12 ± 0.02 | eV | NIST |
| IE | 9.13 | eV | NIST |
| logPoct/wat | 2.507 | Crippen Calculated Property | |
| McVol | 94.330 | ml/mol | McGowan Calculated Property |
| Inp | [726.00; 759.30] |
|
|
| Inp | 750.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 743.00 | NIST | |
| Inp | 737.80 | NIST | |
| Inp | Outlier 759.30 | NIST | |
| Inp | 754.10 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 744.00 | NIST | |
| Inp | 750.80 | NIST | |
| Inp | 758.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 745.50 | NIST | |
| Inp | 737.50 | NIST | |
| Inp | Outlier 726.00 | NIST | |
| Inp | 732.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 736.00 | NIST | |
| Inp | 741.70 | NIST | |
| Inp | 731.00 | NIST | |
| Inp | 750.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 739.00 | NIST | |
| Inp | 745.00 | NIST | |
| Inp | 738.00 | NIST | |
| Inp | 750.00 | NIST | |
| Tboil | [371.00; 382.00] | K |
|
| Tboil | 375.70 | K | NIST |
| Tboil | 376.17 ± 0.05 | K | NIST |
| Tboil | 376.11 ± 0.20 | K | NIST |
| Tboil | 378.15 ± 6.00 | K | NIST |
| Tboil | 375.70 ± 0.70 | K | NIST |
| Tboil | 376.00 ± 3.00 | K | NIST |
| Tboil | 375.40 ± 4.00 | K | NIST |
| Tboil | 376.00 ± 4.00 | K | NIST |
| Tboil | Outlier 382.00 ± 5.00 | K | NIST |
| Tboil | Outlier 371.00 ± 1.00 | K | NIST |
| Tboil | 375.10 ± 2.00 | K | NIST |
| Tboil | 376.50 ± 1.00 | K | NIST |
| Tboil | 376.00 ± 3.00 | K | NIST |
| Tboil | 375.00 ± 3.00 | K | NIST |
| Tboil | 378.00 ± 6.00 | K | NIST |
| Tboil | 377.00 ± 5.00 | K | NIST |
| Tboil | 379.00 ± 4.00 | K | NIST |
| Tboil | 379.00 ± 5.00 | K | NIST |
| Tboil | 379.00 ± 4.00 | K | NIST |
| Tboil | 376.00 ± 3.00 | K | NIST |
| Tfus | [166.45; 168.44] | K |
|
| Tfus | 166.45 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 168.43 ± 0.03 | K | NIST |
| Tfus | 168.44 ± 0.02 | K | NIST |
| Tfus | 166.50 ± 0.50 | K | NIST |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 177.40 | J/mol×K | 298.15 | NIST |
| ΔvapH | 34.40 | kJ/mol | 359.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [110.10; 326.97] | 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 | -5.27300e+01 | |||
| Coefficient B | 6.99900e-01 | |||
| Coefficient C | -4.01000e-04 | |||
| Coefficient D | 8.08000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 110.10 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 148.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 182.32 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 212.52 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 239.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 262.35 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 282.51 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 299.82 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 314.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 326.97 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0157355; 0.0002328] | Pa×s | [167.45; 411.83] |
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 | -1.12529e+01 | |||
| Coefficient B | 1.18910e+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. | 167.45 | |||
| Temperature range, max. | 411.83 | |||
| η | 0.0157355 | Pa×s | 167.45 | Calculated Property |
| η | 0.0058425 | Pa×s | 194.61 | Calculated Property |
| η | 0.0027649 | Pa×s | 221.76 | Calculated Property |
| η | 0.0015405 | Pa×s | 248.91 | Calculated Property |
| η | 0.0009629 | Pa×s | 276.07 | Calculated Property |
| η | 0.0006548 | Pa×s | 303.22 | Calculated Property |
| η | 0.0004744 | Pa×s | 330.37 | Calculated Property |
| η | 0.0003609 | Pa×s | 357.52 | Calculated Property |
| η | 0.0002854 | Pa×s | 384.68 | Calculated Property |
| η | 0.0002328 | Pa×s | 411.83 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [272.69; 401.96] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37327e+01 | |||
| Coefficient B | -2.91341e+03 | |||
| Coefficient C | -5.60000e+01 | |||
| Temperature range, min. | 272.69 | |||
| Temperature range, max. | 401.96 | |||
| Pvap | 1.33 | kPa | 272.69 | Calculated Property |
| Pvap | 3.08 | kPa | 287.05 | Calculated Property |
| Pvap | 6.43 | kPa | 301.42 | Calculated Property |
| Pvap | 12.40 | kPa | 315.78 | Calculated Property |
| Pvap | 22.32 | kPa | 330.14 | Calculated Property |
| Pvap | 37.88 | kPa | 344.51 | Calculated Property |
| Pvap | 61.15 | kPa | 358.87 | Calculated Property |
| Pvap | 94.53 | kPa | 373.23 | Calculated Property |
| Pvap | 140.71 | kPa | 387.60 | Calculated Property |
| Pvap | 202.65 | kPa | 401.96 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, methylene-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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