- InChI
- InChI=1S/C8H12/c1-7-3-5-8(2)6-4-7/h1-6H2
- InChI Key
- JPBHXVRMWGWSMX-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=C1CCC(=C)CC1
- Molecular Weight1
- 108.18
- CAS
- 4982-20-1
- Other Names
-
- Cyclohexane, 1,4-dimethylene-
- 1,4-Dimethylenecyclohexane
- Cp,gas : Ideal gas 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- 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 |
|---|---|---|---|
| ΔfH°gas | 64.39 | kJ/mol | NIST |
| ΔfusH° | 4.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.12 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 104.120 | ml/mol | McGowan Calculated Property |
| Inp | 803.00 | NIST | |
| Tboil | 402.86 | K | Relay (1.0) Calculated Property |
| Tfus | 223.21 | K | Relay (1.0) Calculated Property |
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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.82; 346.65] | 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 | -3.13500e+01 | |||
| Coefficient B | 6.77400e-01 | |||
| Coefficient C | -3.63000e-04 | |||
| Coefficient D | 6.36000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 127.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 165.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 199.69 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 230.04 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 256.94 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 280.58 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 301.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 318.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 334.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 346.65 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0030331; 0.0002441] | Pa×s | [218.90; 427.35] |
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 | -1.09642e+01 | |||
| Coefficient B | 1.13084e+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. | 218.90 | |||
| Temperature range, max. | 427.35 | |||
| η | 0.0030331 | Pa×s | 218.90 | Calculated Property |
| η | 0.0018502 | Pa×s | 242.06 | Calculated Property |
| η | 0.0012304 | Pa×s | 265.22 | Calculated Property |
| η | 0.0008736 | Pa×s | 288.38 | Calculated Property |
| η | 0.0006527 | Pa×s | 311.54 | Calculated Property |
| η | 0.0005077 | Pa×s | 334.70 | Calculated Property |
| η | 0.0004080 | Pa×s | 357.86 | Calculated Property |
| η | 0.0003367 | Pa×s | 381.03 | Calculated Property |
| η | 0.0002841 | Pa×s | 404.19 | Calculated Property |
| η | 0.0002441 | Pa×s | 427.35 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,4-bis(methylene)-.
Sources
- 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
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