- InChI
- InChI=1S/C6H10Cl2/c7-5-1-2-6(8)4-3-5/h5-6H,1-4H2/t5-,6-
- InChI Key
- WQTINZDWAXJLGH-IZLXSQMJSA-N
- Formula
- C6H10Cl2
- SMILES
- ClC1CCC(Cl)CC1
- Molecular Weight1
- 153.05
- CAS
- 16890-91-8
- Other Names
-
- 1,4-Dichlorocyclohexane, (E)-
- trans-1,4-Dichlorocyclohexane
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -154.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.92 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.775 | Crippen Calculated Property | |
| McVol | 109.020 | ml/mol | McGowan Calculated Property |
| Inp | [1051.00; 1060.00] |
|
|
| Inp | 1051.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1057.00 | NIST | |
| Inp | 1058.00 | NIST | |
| Inp | 1060.00 | NIST | |
| Inp | 1051.00 | NIST | |
| Tboil | 465.49 | K | Relay (1.0) Calculated Property |
| Tfus | 291.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
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 | [123.72; 337.15] | 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 | -3.64500e+01 | |||
| Coefficient B | 6.83000e-01 | |||
| Coefficient C | -3.69000e-04 | |||
| Coefficient D | 5.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 123.72 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 161.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 195.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 225.68 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 252.20 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 275.28 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 295.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 311.93 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 325.88 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 337.15 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0011950; 0.0003118] | Pa×s | [291.15; 453.08] |
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 | -1.04892e+01 | |||
| Coefficient B | 1.09462e+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. | 291.15 | |||
| Temperature range, max. | 453.08 | |||
| η | 0.0011950 | Pa×s | 291.15 | Calculated Property |
| η | 0.0009602 | Pa×s | 309.14 | Calculated Property |
| η | 0.0007903 | Pa×s | 327.13 | Calculated Property |
| η | 0.0006638 | Pa×s | 345.13 | Calculated Property |
| η | 0.0005672 | Pa×s | 363.12 | Calculated Property |
| η | 0.0004920 | Pa×s | 381.11 | Calculated Property |
| η | 0.0004322 | Pa×s | 399.10 | Calculated Property |
| η | 0.0003840 | Pa×s | 417.10 | Calculated Property |
| η | 0.0003445 | Pa×s | 435.09 | Calculated Property |
| η | 0.0003118 | Pa×s | 453.08 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,4-dichloro-, trans-.
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
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