- InChI
- InChI=1S/C8H16/c1-7-5-3-4-6-8(7)2/h7-8H,3-6H2,1-2H3
- InChI Key
- KVZJLSYJROEPSQ-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC1CCCCC1C
- Molecular Weight1
- 112.21
- CAS
- 583-57-3
- Other Names
-
- 1,2-dimethylcyclohexane
- 1,2-dimethylcyclohexane (cis+trans)
- UN 2263
- cyclohexane, 1,2-dimethyl-
- hexahydro-o-xylene
- o-dimethylcyclohexane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Ttriple : Triple Point Temperature (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 | 0.2519 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -172.36 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.86 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.45 ± 0.05 | eV | NIST |
| log10WS | -4.28 | Aq. Solubility Prediction | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Inp | [785.00; 830.00] |
|
|
| Inp | 794.00 | NIST | |
| Inp | 823.00 | NIST | |
| Inp | 800.00 | NIST | |
| Inp | 830.00 | NIST | |
| Inp | 798.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 795.00 | NIST | |
| Inp | 829.00 | NIST | |
| Inp | 797.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 807.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 798.00 | NIST | |
| Tboil | [396.20; 402.87] | K |
|
| Tboil | 397.20 | K | NIST |
| Tboil | 402.87 ± 1.00 | K | NIST |
| Tboil | 396.40 ± 3.00 | K | NIST |
| Tboil | 397.40 ± 3.00 | K | NIST |
| Tboil | 398.40 ± 3.00 | K | NIST |
| Tboil | 398.79 ± 2.00 | K | NIST |
| Tboil | 402.20 ± 1.50 | K | NIST |
| Tboil | 401.10 ± 1.50 | K | NIST |
| Tboil | 396.20 ± 2.00 | K | NIST |
| Tboil | 402.00 ± 1.00 | K | NIST |
| Tboil | 397.00 ± 3.00 | K | NIST |
| Tboil | 397.00 ± 2.00 | K | NIST |
| Tboil | 399.00 ± 2.00 | K | NIST |
| Tboil | 398.00 ± 3.00 | K | NIST |
| Tc | 594.74 | K | Relay (1.0) Calculated Property |
| Tfus | [204.20; 223.25] | K |
|
| Tfus | 204.20 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Tfus | 223.25 | K | Aq. Solubility Prediction |
| Ttriple | 185.00 | K | Staveley, Lobo and Calado (1981), triple points Compiled value |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 173.90 | J/mol×K | 325.20 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.34; 423.79] | 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 | -6.40500e+01 | |||
| Coefficient B | 8.59440e-01 | |||
| Coefficient C | -4.37000e-04 | |||
| Coefficient D | 6.54000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.34 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 188.20 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 232.27 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 271.75 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 306.84 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 337.75 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 364.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 387.88 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 407.51 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 423.79 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020092; 0.0002333] | Pa×s | [213.72; 418.58] |
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 | -1.06096e+01 | |||
| Coefficient B | 9.40300e+02 | |||
| 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. | 213.72 | |||
| Temperature range, max. | 418.58 | |||
| η | 0.0020092 | Pa×s | 213.72 | Calculated Property |
| η | 0.0013156 | Pa×s | 236.49 | Calculated Property |
| η | 0.0009279 | Pa×s | 259.25 | Calculated Property |
| η | 0.0006924 | Pa×s | 282.01 | Calculated Property |
| η | 0.0005398 | Pa×s | 304.77 | Calculated Property |
| η | 0.0004356 | Pa×s | 327.53 | Calculated Property |
| η | 0.0003615 | Pa×s | 350.29 | Calculated Property |
| η | 0.0003069 | Pa×s | 373.06 | Calculated Property |
| η | 0.0002655 | Pa×s | 395.82 | Calculated Property |
| η | 0.0002333 | Pa×s | 418.58 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [291.74; 425.77] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.42946e+01 | |||
| Coefficient B | -3.35684e+03 | |||
| Coefficient C | -5.20860e+01 | |||
| Temperature range, min. | 291.74 | |||
| Temperature range, max. | 425.77 | |||
| Pvap | 1.33 | kPa | 291.74 | Calculated Property |
| Pvap | 3.03 | kPa | 306.63 | Calculated Property |
| Pvap | 6.27 | kPa | 321.52 | Calculated Property |
| Pvap | 12.04 | kPa | 336.42 | Calculated Property |
| Pvap | 21.67 | kPa | 351.31 | Calculated Property |
| Pvap | 36.89 | kPa | 366.20 | Calculated Property |
| Pvap | 59.84 | kPa | 381.09 | Calculated Property |
| Pvap | 93.09 | kPa | 395.99 | Calculated Property |
| Pvap | 139.58 | kPa | 410.88 | Calculated Property |
| Pvap | 202.66 | kPa | 425.77 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,2-dimethyl- (cis/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).
- Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
- Cheméo Relay (1.0)
- Crippen Method
- Miscibility behavior of trihexyl(tetradecyl)phosphonium tetrafluoroborate with cyclic hydrocarbons
- Joback Method
- Aqueous Solubility Prediction Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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