- InChI
- InChI=1S/C8H14/c1-2-8-6-4-3-5-7-8/h3-4,8H,2,5-7H2,1H3
- InChI Key
- CFOHRCNONSEVOJ-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- CCC1CC=CCC1
- Molecular Weight1
- 110.20
- CAS
- 3742-42-5
- Other Names
-
- 1-Ethyl-3-cyclohexene
- 4-Ethylcyclohexene-1
- Cyclohexene, 4-ethyl-
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfH°gas | -52.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.33 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 ± 0.01 | eV | NIST |
| logPoct/wat | 2.753 | Crippen Calculated Property | |
| McVol | 108.420 | ml/mol | McGowan Calculated Property |
| Inp | [825.50; 894.00] |
|
|
| Inp | 845.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 856.00 | NIST | |
| Inp | 825.50 | NIST | |
| Inp | 825.50 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | Outlier 894.00 | NIST | |
| Inp | 845.30 | NIST | |
| Inp | 851.30 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 848.00 | NIST | |
| Inp | 851.00 | NIST | |
| Inp | 845.00 | NIST | |
| Inp | 886.00 | NIST | |
| Inp | 851.00 | NIST | |
| I | [988.00; 1009.20] |
|
|
| I | 1009.00 | NIST | |
| I | 988.00 | NIST | |
| I | 999.00 | NIST | |
| I | 1009.00 | NIST | |
| I | 1009.20 | NIST | |
| I | 988.00 | NIST | |
| I | 998.90 | NIST | |
| I | 1009.20 | NIST | |
| I | 988.00 | NIST | |
| I | 998.90 | NIST | |
| Tboil | 402.36 | K | Relay (1.0) Calculated Property |
| Tfus | 165.72 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.60; 385.83] | 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 | -6.22090e+01 | |||
| Coefficient B | 8.29920e-01 | |||
| Coefficient C | -4.79680e-04 | |||
| Coefficient D | 9.78000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 130.60 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 175.69 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 215.88 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 251.47 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 282.78 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 310.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 333.77 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 354.07 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 371.32 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 385.83 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0057600; 0.0002287] | Pa×s | [188.06; 423.11] |
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 | -1.09647e+01 | |||
| Coefficient B | 1.09223e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 188.06 | |||
| Temperature range, max. | 423.11 | |||
| η | 0.0057600 | Pa×s | 188.06 | Calculated Property |
| η | 0.0028369 | Pa×s | 214.18 | Calculated Property |
| η | 0.0016298 | Pa×s | 240.29 | Calculated Property |
| η | 0.0010438 | Pa×s | 266.41 | Calculated Property |
| η | 0.0007239 | Pa×s | 292.53 | Calculated Property |
| η | 0.0005330 | Pa×s | 318.64 | Calculated Property |
| η | 0.0004111 | Pa×s | 344.76 | Calculated Property |
| η | 0.0003289 | Pa×s | 370.87 | Calculated Property |
| η | 0.0002710 | Pa×s | 396.99 | Calculated Property |
| η | 0.0002287 | Pa×s | 423.11 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [296.37; 425.24] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.45486e+01 | |||
| Coefficient B | -3.37911e+03 | |||
| Coefficient C | -5.94200e+01 | |||
| Temperature range, min. | 296.37 | |||
| Temperature range, max. | 425.24 | |||
| Pvap | 1.33 | kPa | 296.37 | Calculated Property |
| Pvap | 3.01 | kPa | 310.69 | Calculated Property |
| Pvap | 6.21 | kPa | 325.01 | Calculated Property |
| Pvap | 11.90 | kPa | 339.33 | Calculated Property |
| Pvap | 21.41 | kPa | 353.65 | Calculated Property |
| Pvap | 36.48 | kPa | 367.96 | Calculated Property |
| Pvap | 59.30 | kPa | 382.28 | Calculated Property |
| Pvap | 92.48 | kPa | 396.60 | Calculated Property |
| Pvap | 139.11 | kPa | 410.92 | Calculated Property |
| Pvap | 202.67 | kPa | 425.24 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Ethylcyclohexene.
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
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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