- 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)
- Cyclohexane, 1,2-dimethyl-
- UN 2263
- hexahydro-o-xylene
- o-Dimethylcyclohexane
- 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).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 33.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.52 | kJ/mol | Joback Calculated Property |
| IE | 9.45 ± 0.05 | eV | NIST |
| log10WS | -4.28 | Aq. Sol... | |
| 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 | |
| Tboil | 397.32 | K | Joback Calculated Property |
| Tc | 597.67 | K | Joback Calculated Property |
| Tfus | 223.25 | K | Aq. Sol... |
| Vc | 0.415 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [212.54; 307.47] | J/mol×K | [397.32; 597.67] |
|
| Cp,gas | 212.54 | J/mol×K | 397.32 | Joback Calculated Property |
| Cp,gas | 230.28 | J/mol×K | 430.71 | Joback Calculated Property |
| Cp,gas | 247.23 | J/mol×K | 464.10 | Joback Calculated Property |
| Cp,gas | 263.41 | J/mol×K | 497.49 | Joback Calculated Property |
| Cp,gas | 278.84 | J/mol×K | 530.89 | Joback Calculated Property |
| Cp,gas | 293.52 | J/mol×K | 564.28 | Joback Calculated Property |
| Cp,gas | 307.47 | J/mol×K | 597.67 | Joback Calculated Property |
| Cp,liquid | 173.90 | J/mol×K | 325.20 | NIST |
| η | [0.0002631; 0.0041986] | Pa×s | [183.06; 397.32] |
|
| η | 0.0041986 | Pa×s | 183.06 | Joback Calculated Property |
| η | 0.0018154 | Pa×s | 218.77 | Joback Calculated Property |
| η | 0.0009932 | Pa×s | 254.48 | Joback Calculated Property |
| η | 0.0006303 | Pa×s | 290.19 | Joback Calculated Property |
| η | 0.0004419 | Pa×s | 325.90 | Joback Calculated Property |
| η | 0.0003324 | Pa×s | 361.61 | Joback Calculated Property |
| η | 0.0002631 | Pa×s | 397.32 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [291.74; 425.77] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| 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
- 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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