- InChI
- InChI=1S/C9H18/c1-7-4-8(2)6-9(3)5-7/h7-9H,4-6H2,1-3H3
- InChI Key
- ODNRTOSCFYDTKF-UHFFFAOYSA-N
- Formula
- C9H18
- SMILES
- CC1CC(C)CC(C)C1
- Molecular Weight1
- 126.24
- Other Names
-
- 1,3,5-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).
- 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 | -218.31 | kJ/mol | Relay (1.0) Calculated Property |
| 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 | [833.00; 864.00] |
|
|
| Inp | 853.00 | NIST | |
| Inp | 864.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 854.00 | NIST | |
| Inp | 864.00 | NIST | |
| Tboil | [408.00; 414.00] | K |
|
| Tboil | 411.00 ± 6.00 | K | NIST |
| Tboil | 412.05 ± 1.00 | K | NIST |
| Tboil | 408.00 ± 4.00 | K | NIST |
| Tboil | 413.50 ± 2.00 | K | NIST |
| Tboil | 410.70 ± 1.00 | K | NIST |
| Tboil | 409.00 ± 4.00 | K | NIST |
| Tboil | 411.00 ± 3.00 | K | NIST |
| Tboil | 411.15 ± 2.00 | K | NIST |
| Tboil | 410.90 ± 2.00 | K | NIST |
| Tboil | 412.40 ± 2.00 | K | NIST |
| Tboil | 411.00 ± 4.00 | K | NIST |
| Tboil | 414.00 ± 3.00 | K | NIST |
| Tboil | 411.00 ± 3.00 | K | NIST |
| Tboil | 409.00 ± 5.00 | K | NIST |
| Tboil | 410.00 ± 5.00 | K | NIST |
| Tc | 591.19 | K | Relay (1.0) Calculated Property |
| Tfus | 194.60 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.460 | m3/kmol | Relay (1.0) Calculated Property |
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 | [0.0022011; 0.0002410] | Pa×s | [194.60; 429.71] |
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. | 194.60 | |||
| Temperature range, max. | 429.71 | |||
| η | 0.0022011 | Pa×s | 194.60 | Calculated Property |
| η | 0.0013641 | Pa×s | 220.72 | Calculated Property |
| η | 0.0009354 | Pa×s | 246.85 | Calculated Property |
| η | 0.0006895 | Pa×s | 272.97 | Calculated Property |
| η | 0.0005361 | Pa×s | 299.09 | Calculated Property |
| η | 0.0004340 | Pa×s | 325.22 | Calculated Property |
| η | 0.0003625 | Pa×s | 351.34 | Calculated Property |
| η | 0.0003105 | Pa×s | 377.46 | Calculated Property |
| η | 0.0002713 | Pa×s | 403.59 | Calculated Property |
| η | 0.0002410 | Pa×s | 429.71 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1,3,5-trimethyl-.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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