- InChI
- InChI=1S/C15H30/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h12-15H,5-11H2,1-4H3
- InChI Key
- NOWQRWPUNHMSAF-UHFFFAOYSA-N
- Formula
- C15H30
- SMILES
- CC(C)CCCC(C)C1CCC(C)CC1
- Molecular Weight1
- 210.40
- CAS
- 29799-19-7
- Other Names
-
- Heptane, 2-methyl-6-(4-methylcyclohexyl)-
- Bisabolane
- Bisabolene, trans-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Ip : 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 | 0.4587 | Relay (1.0) Calculated Property | |
| ΔfusH° | 20.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.54 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.275 | Crippen Calculated Property | |
| McVol | 211.350 | ml/mol | McGowan Calculated Property |
| Pc | 1639.10 | kPa | Joback Calculated Property |
| Inp | [1458.00; 1464.00] |
|
|
| Inp | 1458.00 | NIST | |
| Inp | 1458.00 | NIST | |
| Inp | 1464.00 | NIST | |
| Ip | [1501.00; 1521.00] |
|
|
| Ip | 1510.00 | NIST | |
| Ip | 1501.00 | NIST | |
| Ip | 1521.00 | NIST | |
| Ip | 1510.00 | NIST | |
| Tboil | 537.14 | K | Relay (1.0) Calculated Property |
| Tc | 713.28 | K | Relay (1.0) Calculated Property |
| Tfus | 223.31 | K | Relay (1.0) Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, 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 | [287.21; 786.00] | 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 | -7.37770e+01 | |||
| Coefficient B | 1.53628e+00 | |||
| Coefficient C | -8.24200e-04 | |||
| Coefficient D | 1.47700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 287.21 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 373.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 450.30 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 519.25 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 580.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 634.29 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 681.31 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 721.96 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 756.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 786.00 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0120303; 0.0002139] | Pa×s | [231.95; 524.78] |
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 | -1.16420e+01 | |||
| Coefficient B | 1.67506e+03 | |||
| 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. | 231.95 | |||
| Temperature range, max. | 524.78 | |||
| η | 0.0120303 | Pa×s | 231.95 | Calculated Property |
| η | 0.0049483 | Pa×s | 264.49 | Calculated Property |
| η | 0.0024726 | Pa×s | 297.02 | Calculated Property |
| η | 0.0014170 | Pa×s | 329.56 | Calculated Property |
| η | 0.0008974 | Pa×s | 362.10 | Calculated Property |
| η | 0.0006129 | Pa×s | 394.63 | Calculated Property |
| η | 0.0004436 | Pa×s | 427.17 | Calculated Property |
| η | 0.0003361 | Pa×s | 459.71 | Calculated Property |
| η | 0.0002641 | Pa×s | 492.24 | Calculated Property |
| η | 0.0002139 | Pa×s | 524.78 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 1-(1,5-dimethylhexyl)-4-methyl-.
Sources
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