- 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
- (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
- Cyclohexane, 1,3,5-trimethyl-, (1«alpha»,3«alpha»,5«alpha»)-cis
- Cyclohexane, 1,3,5-trimethyl-, cis-
- cis,cis-1,3,5-Trimethylcyclohexane
- cis-1,3,5-Trimethylcyclohexane
- r-1,c-3,t-5-trimethylcyclohexane
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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 |
|---|---|---|---|
| ω | 0.2881 | Relay (1.0) Calculated Property | |
| ΔfG° | 33.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.40 | kJ/mol | NIST |
| ΔfusH° | 13.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.94 | 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 | [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 | 841.75 | NIST | |
| Inp | 825.00 | NIST | |
| Inp | 834.00 | 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 | 602.20 | K | IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value |
| 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 | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 38.30 | kJ/mol | 364.00 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [162.82; 482.04] | 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 | -5.90200e+01 | |||
| Coefficient B | 9.27960e-01 | |||
| Coefficient C | -4.36000e-04 | |||
| Coefficient D | 4.91000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 162.82 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.88 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 265.93 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 310.12 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 349.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 384.57 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 415.13 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 441.46 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 463.71 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 482.04 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0012770; 0.0002497] | Pa×s | [224.88; 421.54] |
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 | -1.01618e+01 | |||
| Coefficient B | 7.86770e+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. | 224.88 | |||
| Temperature range, max. | 421.54 | |||
| η | 0.0012770 | Pa×s | 224.88 | Calculated Property |
| η | 0.0009368 | Pa×s | 246.73 | Calculated Property |
| η | 0.0007227 | Pa×s | 268.58 | Calculated Property |
| η | 0.0005798 | Pa×s | 290.44 | Calculated Property |
| η | 0.0004797 | Pa×s | 312.29 | Calculated Property |
| η | 0.0004068 | Pa×s | 334.14 | Calculated Property |
| η | 0.0003521 | Pa×s | 355.99 | Calculated Property |
| η | 0.0003098 | Pa×s | 377.84 | Calculated Property |
| η | 0.0002765 | Pa×s | 399.69 | Calculated Property |
| η | 0.0002497 | Pa×s | 421.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [292.05; 441.52] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| 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 Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | -3.27220e+01 | |||
| Coefficient B | -2.60338e+03 | |||
| Coefficient C | 7.48937e+00 | |||
| Coefficient D | -8.61311e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| 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
- IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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