- 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-AYMMMOKOSA-N
- Formula
- C9H18
- SMILES
- CC1CC(C)CC(C)C1
- Molecular Weight1
- 126.24
- CAS
- 1795-27-3
- Other Names
-
- (1«alpha»,3«alpha»,5«alpha»)-1,3,5-Trimethyl-cyclohexane
- (1«alpha»,3«alpha»,5«alpha»)-1,3,5-Trimethyl-cyclohexane
- (Z)-1,3,5-TRIMETHYLCYCLOHEXANE
- 1,3,5-Trimethylcyclohexane, cis, cis
- 1,3,5-cis-Trimethylcyclohexane
- 1,3,5-trimethylcyclohexane, cis
- 1,CIS-3,CIS-5-TRIMETHYLCYCLOHEXANE
- CIS,CIS-1,3,5-TRIMETHYLCYCLOHEXANE
- Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«alpha»)-cis
- Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«alpha»)-cis
- Cyclohexane, 1,3,5-trimethyl-, cis-
- cis-1,3,5-Trimethylcyclohexane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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.
- 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° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.40 | kJ/mol | NIST |
| ΔfusH° | 13.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.76 | Crippen 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 | [825.00; 880.00] |
|
|
| Inp | 843.70 | NIST | |
| Inp | 848.40 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 866.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 873.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 872.00 | NIST | |
| Inp | 875.00 | NIST | |
| Inp | 877.00 | NIST | |
| Inp | 880.00 | NIST | |
| Inp | 868.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 850.00 | NIST | |
| Inp | 852.00 | NIST | |
| Inp | 855.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 870.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 860.00 | NIST | |
| Inp | 841.75 | NIST | |
| Inp | 831.30 | NIST | |
| Inp | 835.50 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 841.75 | NIST | |
| Tboil | [223.15; 425.15] | K |
|
| Tboil | Outlier 223.15 | K | KDB |
| Tboil | 411.70 ± 0.20 | K | NIST |
| Tboil | 411.70 ± 0.30 | K | NIST |
| Tboil | 411.56 ± 0.30 | K | NIST |
| Tboil | 425.15 ± 6.00 | K | NIST |
| Tboil | 411.15 ± 2.00 | K | NIST |
| Tboil | 411.15 ± 4.00 | K | NIST |
| Tboil | 411.15 ± 3.00 | K | NIST |
| Tboil | 411.90 ± 1.50 | K | NIST |
| Tboil | 412.15 ± 1.50 | K | NIST |
| Tboil | 412.15 ± 1.50 | K | NIST |
| Tboil | 412.15 ± 1.50 | K | NIST |
| Tboil | 412.15 ± 2.00 | K | NIST |
| Tc | 613.57 | K | Joback Calculated Property |
| Tfus | [223.00; 229.93] | K |
|
| Tfus | 223.15 | K | KDB |
| Tfus | 229.93 ± 0.02 | K | NIST |
| Tfus | 223.45 ± 0.50 | K | NIST |
| Tfus | 223.00 ± 5.00 | K | NIST |
| Vc | 0.470 | m3/kmol | Joback 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 |
| ΔvapH | 38.30 | kJ/mol | 364.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [292.05; 441.52] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.43321e+01 | |||
| Coefficient B | -3.76912e+03 | |||
| Coefficient C | -2.36820e+01 | |||
| Temperature range, min. | 292.05 | |||
| Temperature range, max. | 441.52 | |||
| Pvap | 1.33 | kPa | 292.05 | Calculated Property |
| Pvap | 3.02 | kPa | 308.66 | Calculated Property |
| Pvap | 6.26 | kPa | 325.27 | Calculated Property |
| Pvap | 12.02 | kPa | 341.87 | Calculated Property |
| Pvap | 21.63 | kPa | 358.48 | Calculated Property |
| Pvap | 36.83 | kPa | 375.09 | Calculated Property |
| Pvap | 59.76 | kPa | 391.70 | Calculated Property |
| Pvap | 93.00 | kPa | 408.30 | Calculated Property |
| Pvap | 139.52 | kPa | 424.91 | Calculated Property |
| Pvap | 202.67 | kPa | 441.52 | Calculated Property |
| Pvap | [3.98; 2487.53] | kPa | [318.15; 607.86] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | -3.27220e+01 | |||
| Coefficient B | -2.60338e+03 | |||
| Coefficient C | 7.48937e+00 | |||
| Coefficient D | -8.61311e-06 | |||
| Temperature range, min. | 318.15 | |||
| Temperature range, max. | 607.86 | |||
| Pvap | 3.98 | kPa | 318.15 | Calculated Property |
| Pvap | 14.43 | kPa | 350.34 | Calculated Property |
| Pvap | 42.51 | kPa | 382.53 | Calculated Property |
| Pvap | 105.86 | kPa | 414.72 | Calculated Property |
| Pvap | 229.34 | kPa | 446.91 | Calculated Property |
| Pvap | 441.75 | kPa | 479.10 | Calculated Property |
| Pvap | 769.14 | kPa | 511.29 | Calculated Property |
| Pvap | 1226.21 | kPa | 543.48 | Calculated Property |
| Pvap | 1808.41 | kPa | 575.67 | Calculated Property |
| Pvap | 2487.53 | kPa | 607.86 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«alpha»)-.
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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