- InChI
- InChI=1S/C9H16/c1-2-6-9-7-4-3-5-8-9/h2,9H,1,3-8H2
- InChI Key
- KVOZXXSUSRZIKD-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- C=CCC1CCCCC1
- Molecular Weight1
- 124.23
- Other Names
-
- Cyclohexane, allyl-
- Allylcyclohexane
- 1-Cyclohexyl-2-propene
- 1-Propene, 3-cyclohexyl-
- 3-Cyclohexyl-1-propene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase 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 | 0.2367 | Relay (1.0) Calculated Property | |
| ΔfG° | 137.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -61.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [44.00; 44.00] | kJ/mol |
|
| ΔvapH° | 44.00 ± 0.30 | kJ/mol | NIST |
| ΔvapH° | 44.00 ± 0.20 | kJ/mol | NIST |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.31 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 122.510 | ml/mol | McGowan Calculated Property |
| Pc | 2969.80 | kPa | Joback Calculated Property |
| Inp | [918.00; 935.00] |
|
|
| Inp | 926.00 | NIST | |
| Inp | 925.90 | NIST | |
| Inp | Outlier 935.00 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 921.00 | NIST | |
| Inp | 922.50 | NIST | |
| Inp | 919.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 918.00 | NIST | |
| Inp | 919.00 | NIST | |
| Tboil | [400.23; 422.00] | K |
|
| Tboil | 400.23 ± 0.15 | K | NIST |
| Tboil | 422.00 ± 4.00 | K | NIST |
| Tc | 627.46 | K | Relay (1.0) Calculated Property |
| Tfus | 186.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.420 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,liquid | 233.50 | J/mol×K | 298.15 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.48; 440.21] | 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 | -7.38890e+01 | |||
| Coefficient B | 9.60900e-01 | |||
| Coefficient C | -5.69700e-04 | |||
| Coefficient D | 1.22900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 148.48 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 200.19 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 246.18 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 286.82 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 322.51 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 353.62 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 380.57 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 403.72 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 423.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 440.21 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0073334; 0.0002440] | Pa×s | [196.81; 437.68] |
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 | -1.10989e+01 | |||
| Coefficient B | 1.21699e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 196.81 | |||
| Temperature range, max. | 437.68 | |||
| η | 0.0073334 | Pa×s | 196.81 | Calculated Property |
| η | 0.0034981 | Pa×s | 223.57 | Calculated Property |
| η | 0.0019548 | Pa×s | 250.34 | Calculated Property |
| η | 0.0012223 | Pa×s | 277.10 | Calculated Property |
| η | 0.0008302 | Pa×s | 303.86 | Calculated Property |
| η | 0.0006003 | Pa×s | 330.63 | Calculated Property |
| η | 0.0004557 | Pa×s | 357.39 | Calculated Property |
| η | 0.0003595 | Pa×s | 384.15 | Calculated Property |
| η | 0.0002924 | Pa×s | 410.91 | Calculated Property |
| η | 0.0002440 | Pa×s | 437.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, 2-propenyl-.
Sources
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