- InChI
- InChI=1S/C8H12/c1-2-8-6-4-3-5-7-8/h2-4,8H,1,5-7H2
- InChI Key
- BBDKZWKEPDTENS-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- C=CC1CC=CCC1
- Molecular Weight1
- 108.18
- CAS
- 100-40-3
- Other Names
-
- 1,2,3,4-Tetrahydrostyrene
- 1-Cyclohexene, 4-vinyl-
- 1-Vinylcyclohex-3-ene
- 1-Vinylcyclohexene-3
- 1-vinyl-3-cyclohexene
- 4-Ethenyl-1-cyclohexene
- 4-Vinylcyclohexene-1
- 4-ethenylcyclohexene
- 4-vinyl-1-cyclohexene
- 4-vinylcyclohexene
- Butadiene dimer
- Cyclohexenylethylene
- NCI-C54999
- NSC 15760
- Vinylcyclohexene
- cyclohexene, 4-vinyl-
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pvap : Vapor pressure (kPa).
- 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 |
|---|---|---|---|
| ΔcH°liquid | [-4892.90; -4889.80] | kJ/mol |
|
| ΔcH°liquid | -4889.80 | kJ/mol | NIST |
| ΔcH°liquid | -4892.90 ± 1.30 | kJ/mol | NIST |
| ΔfH°gas | 69.50 ± 1.50 | kJ/mol | NIST |
| ΔfH°liquid | 29.70 ± 1.30 | kJ/mol | NIST |
| ΔfusH° | 8.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [38.30; 39.80] | kJ/mol |
|
| ΔvapH° | 39.61 | kJ/mol | NIST |
| ΔvapH° | 38.30 | kJ/mol | NIST |
| ΔvapH° | 39.80 | kJ/mol | NIST |
| IE | [8.80; 8.93] | eV |
|
| IE | 8.80 ± 0.10 | eV | NIST |
| IE | 8.93 ± 0.02 | eV | NIST |
| logPoct/wat | 2.529 | Crippen Calculated Property | |
| McVol | 104.120 | ml/mol | McGowan Calculated Property |
| Inp | [120.10; 850.30] |
|
|
| Inp | 838.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 829.50 | NIST | |
| Inp | 825.10 | NIST | |
| Inp | 850.30 | NIST | |
| Inp | 843.60 | NIST | |
| Inp | 839.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | 809.00 | NIST | |
| Inp | 818.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 831.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 838.10 | NIST | |
| Inp | 822.00 | NIST | |
| Inp | 842.00 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 828.00 | NIST | |
| Inp | 833.00 | NIST | |
| Inp | Outlier 120.10 | NIST | |
| Inp | 834.00 | NIST | |
| Inp | 838.00 | NIST | |
| Inp | 843.60 | NIST | |
| Inp | 840.00 | NIST | |
| Inp | 824.00 | NIST | |
| Inp | 833.00 | NIST | |
| I | 1039.00 | NIST | |
| Tboil | [399.70; 403.20] | K |
|
| Tboil | 399.70 | K | NIST |
| Tboil | 402.20 | K | NIST |
| Tboil | 403.20 ± 2.00 | K | NIST |
| Tfus | 182.64 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | [33.50; 40.10] | kJ/mol | [348.50; 402.20] |
|
| ΔvapH | 40.10 | kJ/mol | 348.50 | NIST |
| ΔvapH | 33.50 | kJ/mol | 402.20 | NIST |
| Pvap | [50.00; 100.00] | kPa | [377.75; 401.42] |
|
| Pvap | 50.00 | kPa | 377.75 | Isobaric Vapor Liquid Equilibria for Binary Mixtures of Z,E-2-Methyl-2-butenenitrile, R,S-4-Vinyl-1-cyclohexene, and Z,E-3-Pentenenitrile |
| Pvap | 100.00 | kPa | 401.42 | Isobaric Vapor Liquid Equilibria for Binary Mixtures of Z,E-2-Methyl-2-butenenitrile, R,S-4-Vinyl-1-cyclohexene, and Z,E-3-Pentenenitrile |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.79; 357.32] | 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 | -6.52000e+01 | |||
| Coefficient B | 8.09900e-01 | |||
| Coefficient C | -5.02580e-04 | |||
| Coefficient D | 1.15200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 120.79 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 163.52 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 201.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 234.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 263.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 288.47 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 310.03 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 328.45 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 344.09 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 357.32 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0048287; 0.0002195] | Pa×s | [186.30; 424.05] |
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 | -1.08462e+01 | |||
| Coefficient B | 1.02707e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 186.30 | |||
| Temperature range, max. | 424.05 | |||
| η | 0.0048287 | Pa×s | 186.30 | Calculated Property |
| η | 0.0024350 | Pa×s | 212.72 | Calculated Property |
| η | 0.0014284 | Pa×s | 239.13 | Calculated Property |
| η | 0.0009317 | Pa×s | 265.55 | Calculated Property |
| η | 0.0006566 | Pa×s | 291.97 | Calculated Property |
| η | 0.0004904 | Pa×s | 318.38 | Calculated Property |
| η | 0.0003830 | Pa×s | 344.80 | Calculated Property |
| η | 0.0003099 | Pa×s | 371.22 | Calculated Property |
| η | 0.0002578 | Pa×s | 397.63 | Calculated Property |
| η | 0.0002195 | Pa×s | 424.05 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [292.20; 441.47] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.36542e+01 | |||
| Coefficient B | -3.31338e+03 | |||
| Coefficient C | -4.43130e+01 | |||
| Temperature range, min. | 292.20 | |||
| Temperature range, max. | 441.47 | |||
| Pvap | 1.33 | kPa | 292.20 | Calculated Property |
| Pvap | 3.08 | kPa | 308.79 | Calculated Property |
| Pvap | 6.46 | kPa | 325.37 | Calculated Property |
| Pvap | 12.46 | kPa | 341.96 | Calculated Property |
| Pvap | 22.42 | kPa | 358.54 | Calculated Property |
| Pvap | 38.03 | kPa | 375.13 | Calculated Property |
| Pvap | 61.35 | kPa | 391.71 | Calculated Property |
| Pvap | 94.75 | kPa | 408.30 | Calculated Property |
| Pvap | 140.88 | kPa | 424.88 | Calculated Property |
| Pvap | 202.65 | kPa | 441.47 | Calculated Property |
| Pvap | [3.48e-07; 3647.00] | kPa | [164.00; 599.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.18966e+02 | |||
| Coefficient B | -8.81256e+03 | |||
| Coefficient C | -1.57779e+01 | |||
| Coefficient D | 1.35197e-05 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 164.00 | |||
| Temperature range, max. | 599.00 | |||
| Pvap | 3.48e-07 | kPa | 164.00 | Calculated Property |
| Pvap | 1.55e-03 | kPa | 212.33 | Calculated Property |
| Pvap | 0.18 | kPa | 260.67 | Calculated Property |
| Pvap | 3.59 | kPa | 309.00 | Calculated Property |
| Pvap | 26.52 | kPa | 357.33 | Calculated Property |
| Pvap | 111.41 | kPa | 405.67 | Calculated Property |
| Pvap | 334.18 | kPa | 454.00 | Calculated Property |
| Pvap | 818.98 | kPa | 502.33 | Calculated Property |
| Pvap | 1783.82 | kPa | 550.67 | Calculated Property |
| Pvap | 3647.00 | kPa | 599.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexene, 4-ethenyl-.
Mixtures
- Cyclohexene, 4-ethenyl- + 3-Pentenenitrile
- Cyclohexene, 4-ethenyl- + Dimethyl Sulfoxide
- Hexadecane + Cyclohexene, 4-ethenyl-
- Cyclohexene, 4-ethenyl- + Formamide, N-methyl-
- Ethanol, 2-methoxy- + Cyclohexene, 4-ethenyl-
Sources
- KDB Vapor Pressure Data
- 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
- Relation between characteristic molecular volume and hydrophobicity of nonpolar molecules
- Thermodynamics of solvation in propylene glycol and methyl cellosolve
- Vapour pressures and isobaric (vapour + liquid) equilibrium data for the binary system of (RS-4-vinyl-1-cyclohexene + ZE-3-pentenenitrile) at (50.0 and 100.0) kPa
- Standard molar Gibbs free energy and enthalpy of solvation of lowpolar solutes in formamide derivatives at 298 K
- Isobaric Vapor Liquid Equilibria for Binary Mixtures of Z,E-2-Methyl-2-butenenitrile, R,S-4-Vinyl-1-cyclohexene, and Z,E-3-Pentenenitrile
- Vapor-Liquid Equilibrium for Binary Mixtures of 3-Cyano-1-butene + RS-4-Vinyl-1-cyclohexene, 3-Cyano-1-butene + ZE-1-Cyano-2-butene and RS-4-Vinyl-1-cyclohexene + ZE-1-Cyano-2-butene
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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