- InChI
- InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h4,7,9H,2-3,5-6,8H2,1H3
- InChI Key
- XWIMYKYUBWUJOH-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- CCCC1C=CCCC1
- Molecular Weight1
- 124.22
- CAS
- 3983-06-0
- Other Names
-
- 3-Propylcyclohexene-1
- 3-Propyl-1-cyclohexene
- 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 | -75.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.12 | kJ/mol | Joback Calculated Property |
| IE | 8.80 ± 0.01 | eV | NIST |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Inp | [938.00; 986.00] |
|
|
| Inp | 938.00 | NIST | |
| Inp | 944.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 977.00 | NIST | |
| Inp | Outlier 986.00 | NIST | |
| Inp | 938.50 | NIST | |
| Inp | 944.40 | NIST | |
| Inp | 938.00 | NIST | |
| Inp | 944.00 | NIST | |
| I | [1070.80; 1097.00] |
|
|
| I | 1097.00 | NIST | |
| I | 1075.00 | NIST | |
| I | 1085.00 | NIST | |
| I | 1082.00 | NIST | |
| I | 1087.00 | NIST | |
| I | 1092.00 | NIST | |
| I | 1071.00 | NIST | |
| I | 1076.00 | NIST | |
| I | 1082.20 | NIST | |
| I | 1087.20 | NIST | |
| I | 1091.80 | NIST | |
| I | 1070.80 | NIST | |
| I | 1076.40 | NIST | |
| I | 1097.00 | NIST | |
| I | 1097.00 | NIST | |
| I | 1075.00 | NIST | |
| I | 1085.40 | NIST | |
| I | 1097.00 | NIST | |
| I | 1075.00 | NIST | |
| I | 1085.40 | NIST | |
| Tboil | 423.83 | K | Relay (1.0) Calculated Property |
| Tfus | 181.22 | 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 | [151.81; 437.42] | 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 | -6.31180e+01 | |||
| Coefficient B | 9.24920e-01 | |||
| Coefficient C | -5.34080e-04 | |||
| Coefficient D | 1.09700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 151.81 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.11 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 246.96 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.70 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 321.69 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 352.27 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 378.78 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 401.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.01 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 437.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0061457; 0.0002403] | Pa×s | [199.33; 437.72] |
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 | -1.10439e+01 | |||
| Coefficient B | 1.18639e+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. | 199.33 | |||
| Temperature range, max. | 437.72 | |||
| η | 0.0061457 | Pa×s | 199.33 | Calculated Property |
| η | 0.0030575 | Pa×s | 225.82 | Calculated Property |
| η | 0.0017613 | Pa×s | 252.31 | Calculated Property |
| η | 0.0011267 | Pa×s | 278.79 | Calculated Property |
| η | 0.0007789 | Pa×s | 305.28 | Calculated Property |
| η | 0.0005711 | Pa×s | 331.77 | Calculated Property |
| η | 0.0004384 | Pa×s | 358.26 | Calculated Property |
| η | 0.0003490 | Pa×s | 384.75 | Calculated Property |
| η | 0.0002862 | Pa×s | 411.23 | Calculated Property |
| η | 0.0002403 | Pa×s | 437.72 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene,3-propyl-.
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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