- InChI
- InChI=1S/C10H18/c1-9(2)8-10-6-4-3-5-7-10/h4,6,9-10H,3,5,7-8H2,1-2H3
- InChI Key
- NVLNRIBMCIJLQD-UHFFFAOYSA-N
- Formula
- C10H18
- SMILES
- CC(C)CC1C=CCCC1
- Molecular Weight1
- 138.25
- Other Names
-
- Cyclohexene, 3-isobutyl-
- 3-Isobutyl-1-cyclohexene
- 3-Isobutylcyclohexene-1
- 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.
- I : Polar retention indices.
- Tboil : Normal Boiling Point 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 | -126.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.19 | kJ/mol | Joback Calculated Property |
| IE | 8.77 ± 0.02 | eV | NIST |
| logPoct/wat | 3.389 | Crippen Calculated Property | |
| McVol | 136.600 | ml/mol | McGowan Calculated Property |
| Inp | [992.50; 1035.00] |
|
|
| Inp | 998.00 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1035.00 | NIST | |
| Inp | 992.50 | NIST | |
| Inp | 998.20 | NIST | |
| I | [1105.80; 1171.00] |
|
|
| I | 1142.00 | NIST | |
| I | 1152.00 | NIST | |
| I | 1156.00 | NIST | |
| I | 1171.00 | NIST | |
| I | 1131.00 | NIST | |
| I | 1142.00 | NIST | |
| I | 1127.70 | NIST | |
| I | 1105.80 | NIST | |
| I | 1117.90 | NIST | |
| Tboil | 443.01 | K | Relay (1.0) Calculated Property |
| Tfus | 187.78 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, 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 | [172.71; 489.55] | 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 | -6.57090e+01 | |||
| Coefficient B | 1.02584e+00 | |||
| Coefficient C | -5.91680e-04 | |||
| Coefficient D | 1.21100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 228.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 278.28 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 322.38 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 361.21 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 395.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 424.55 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 449.83 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 471.37 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 489.55 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0107831; 0.0002309] | Pa×s | [195.60; 455.18] |
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 | -1.12699e+01 | |||
| Coefficient B | 1.31837e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 195.60 | |||
| Temperature range, max. | 455.18 | |||
| η | 0.0107831 | Pa×s | 195.60 | Calculated Property |
| η | 0.0045351 | Pa×s | 224.44 | Calculated Property |
| η | 0.0023232 | Pa×s | 253.28 | Calculated Property |
| η | 0.0013646 | Pa×s | 282.13 | Calculated Property |
| η | 0.0008846 | Pa×s | 310.97 | Calculated Property |
| η | 0.0006173 | Pa×s | 339.81 | Calculated Property |
| η | 0.0004557 | Pa×s | 368.65 | Calculated Property |
| η | 0.0003515 | Pa×s | 397.49 | Calculated Property |
| η | 0.0002809 | Pa×s | 426.33 | Calculated Property |
| η | 0.0002309 | Pa×s | 455.18 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 3-(2-methylpropyl)-.
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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