- InChI
- InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3/t7-,8-,9-
- InChI Key
- ODNRTOSCFYDTKF-FBJIGQNJSA-N
- Formula
- C9H18
- SMILES
- CC1CC(C)CC(C)C1
- Molecular Weight1
- 126.24
- CAS
- 1795-26-2
- Other Names
-
- Cyclohexane, 1,3,5-trimethyl-, trans-
- 1-trans-3,5-Trimethylcyclohexane
- 1,cis-3,trans-5-Trimethylcyclohexane
- cis,cis,trans-1,3,5-trimethylcyclohexane
- 1,3(Z),5(E)-Trimethylcyclohexane
- 1,3,5-trans-Trimethylcyclohexane
- trans-1,3,5-Trimethylcyclohexane
- Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«beta»)-trans
- ω : Acentric Factor.
- 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).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.2881 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -206.60 | kJ/mol | NIST |
| ΔfusH° | 13.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 40.96 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.30 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.079 | Crippen Calculated Property | |
| McVol | 126.810 | ml/mol | McGowan Calculated Property |
| Pc | 2648.83 | kPa | Joback Calculated Property |
| Inp | [840.00; 875.00] |
|
|
| Inp | 859.00 | NIST | |
| Inp | 859.40 | NIST | |
| Inp | 865.10 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 862.00 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 869.00 | NIST | |
| Inp | 858.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | Outlier 875.00 | NIST | |
| Inp | 853.70 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 859.00 | NIST | |
| Inp | 859.40 | NIST | |
| Inp | 863.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 849.00 | NIST | |
| Inp | 853.70 | NIST | |
| Tboil | [412.75; 414.37] | K |
|
| Tboil | 413.70 ± 0.50 | K | NIST |
| Tboil | 413.70 ± 0.50 | K | NIST |
| Tboil | 414.37 ± 0.30 | K | NIST |
| Tboil | 412.75 ± 1.00 | K | NIST |
| Tc | 602.20 ± 0.60 | K | NIST |
| Tfus | [165.70; 188.72] | K |
|
| Tfus | 188.72 ± 0.02 | K | NIST |
| Tfus | 165.75 ± 0.50 | K | NIST |
| Tfus | 165.70 ± 1.50 | K | NIST |
| Vc | 0.458 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [254.82; 357.55] | J/mol×K | [415.53; 613.57] |
|
| Cp,gas | 254.82 | J/mol×K | 415.53 | Joback Calculated Property |
| Cp,gas | 273.92 | J/mol×K | 448.54 | Joback Calculated Property |
| Cp,gas | 292.21 | J/mol×K | 481.54 | Joback Calculated Property |
| Cp,gas | 309.72 | J/mol×K | 514.55 | Joback Calculated Property |
| Cp,gas | 326.43 | J/mol×K | 547.56 | Joback Calculated Property |
| Cp,gas | 342.37 | J/mol×K | 580.57 | Joback Calculated Property |
| Cp,gas | 357.55 | J/mol×K | 613.57 | Joback Calculated Property |
| η | [0.0002565; 0.0024227] | Pa×s | [190.09; 415.53] |
|
| η | 0.0024227 | Pa×s | 190.09 | Joback Calculated Property |
| η | 0.0012236 | Pa×s | 227.66 | Joback Calculated Property |
| η | 0.0007500 | Pa×s | 265.24 | Joback Calculated Property |
| η | 0.0005190 | Pa×s | 302.81 | Joback Calculated Property |
| η | 0.0003896 | Pa×s | 340.38 | Joback Calculated Property |
| η | 0.0003096 | Pa×s | 377.96 | Joback Calculated Property |
| η | 0.0002565 | Pa×s | 415.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«beta»)-.
Sources
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