- InChI
- InChI=1S/C10H20/c1-7-5-9(3)10(4)6-8(7)2/h7-10H,5-6H2,1-4H3/t7-,8+,9+,10-
- InChI Key
- VWWAILZUSKHANH-FIRGSJFUSA-N
- Formula
- C10H20
- SMILES
-
C[C@@H]1C[C@H](C)[C@H](C)C[C@@
H]1C - Molecular Weight1
- 140.27
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -191.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.70 | kJ/mol | Joback Calculated Property |
| IE | 9.56 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.325 | Crippen Calculated Property | |
| McVol | 140.900 | ml/mol | McGowan Calculated Property |
| Inp | [1047.00; 1056.00] |
|
|
| Inp | 1047.00 | NIST | |
| Inp | 1053.00 | NIST | |
| Inp | 1055.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1050.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Inp | 1047.00 | NIST | |
| Inp | 1054.00 | NIST | |
| Tboil | 438.79 | K | Relay (1.0) Calculated Property |
| Tc | 615.78 | K | Relay (1.0) Calculated Property |
| Tfus | 221.51 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [186.30; 540.29] | 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 | -5.39900e+01 | |||
| Coefficient B | 9.96480e-01 | |||
| Coefficient C | -4.35000e-04 | |||
| Coefficient D | 3.28000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 186.30 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 245.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 299.58 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 348.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 392.39 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 431.38 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 465.56 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 495.04 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 519.91 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 540.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0014826; 0.0002511] | Pa×s | [197.12; 440.78] |
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 | -9.72643e+00 | |||
| Coefficient B | 6.33240e+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. | 197.12 | |||
| Temperature range, max. | 440.78 | |||
| η | 0.0014826 | Pa×s | 197.12 | Calculated Property |
| η | 0.0010059 | Pa×s | 224.19 | Calculated Property |
| η | 0.0007419 | Pa×s | 251.27 | Calculated Property |
| η | 0.0005807 | Pa×s | 278.34 | Calculated Property |
| η | 0.0004746 | Pa×s | 305.41 | Calculated Property |
| η | 0.0004009 | Pa×s | 332.48 | Calculated Property |
| η | 0.0003473 | Pa×s | 359.56 | Calculated Property |
| η | 0.0003070 | Pa×s | 386.63 | Calculated Property |
| η | 0.0002758 | Pa×s | 413.70 | Calculated Property |
| η | 0.0002511 | Pa×s | 440.78 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,4,5-tetramethylcyclohexane, cis.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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