- InChI
- InChI=1S/C8H16/c1-7-4-3-5-8(2)6-7/h7-8H,3-6H2,1-2H3
- InChI Key
- SGVUHPSBDNVHKL-UHFFFAOYSA-N
- Formula
- C8H16
- SMILES
- CC1CCCC(C)C1
- Molecular Weight1
- 112.21
- CAS
- 591-21-9
- Other Names
-
- 1,3-Dimethylcyclohexane
- 1,3-Dimethylcyclohexane cis-trans
- 1,3-Dimethylcyclohexane,c&t
- UN 2263
- cis,trans-1,3-Dimethylcyclohexane
- hexahydro-m-xylene
- m-Dimethylcyclohexane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas 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).
- 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.
- I : 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 |
|---|---|---|---|
| ΔcH°liquid | -5221.60 | kJ/mol | NIST |
| 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 |
| log10WS | -2.58 | Crippen Calculated Property | |
| logPoct/wat | 2.833 | Crippen Calculated Property | |
| McVol | 112.720 | ml/mol | McGowan Calculated Property |
| Pc | 3038.96 | kPa | Joback Calculated Property |
| Inp | [775.00; 810.00] |
|
|
| Inp | 787.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 785.00 | NIST | |
| Inp | 806.00 | NIST | |
| Inp | 775.00 | NIST | |
| Inp | 780.00 | NIST | |
| Inp | 788.00 | NIST | |
| Inp | 802.00 | NIST | |
| Inp | 782.00 | NIST | |
| Inp | 792.00 | NIST | |
| Inp | 804.00 | NIST | |
| Inp | 810.00 | NIST | |
| Inp | 785.00 | NIST | |
| I | [814.00; 860.00] |
|
|
| I | 814.00 | NIST | |
| I | 860.00 | NIST | |
| Tboil | 397.32 | K | Joback Calculated Property |
| Tc | 597.67 | K | Joback Calculated Property |
| Tfus | 183.06 | K | Joback Calculated Property |
| 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 |
| 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; 202.63] | kPa | [286.98; 419.47] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.42809e+01 | |||
| Coefficient B | -3.31009e+03 | |||
| Coefficient C | -5.04320e+01 | |||
| Temperature range, min. | 286.98 | |||
| Temperature range, max. | 419.47 | |||
| Pvap | 1.33 | kPa | 286.98 | Calculated Property |
| Pvap | 3.03 | kPa | 301.70 | Calculated Property |
| Pvap | 6.27 | kPa | 316.42 | Calculated Property |
| Pvap | 12.05 | kPa | 331.14 | Calculated Property |
| Pvap | 21.69 | kPa | 345.86 | Calculated Property |
| Pvap | 36.91 | kPa | 360.59 | Calculated Property |
| Pvap | 59.86 | kPa | 375.31 | Calculated Property |
| Pvap | 93.11 | kPa | 390.03 | Calculated Property |
| Pvap | 139.59 | kPa | 404.75 | Calculated Property |
| Pvap | 202.63 | kPa | 419.47 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,3-dimethyl-.
Sources
- Crippen Method
- Crippen Method
- Miscibility behavior of trihexyl(tetradecyl)phosphonium tetrafluoroborate with cyclic hydrocarbons
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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