- InChI
- InChI=1S/C8H16/c1-5-8(6-2)7(3)4/h5,7H,6H2,1-4H3/b8-5+
- InChI Key
- DSTFDBMUTNIZGD-VMPITWQZSA-N
- Formula
- C8H16
- SMILES
- CC=C(CC)C(C)C
- Molecular Weight1
- 112.21
- CAS
- 42067-49-2
- Other Names
-
- 2-Pentene, 3-ethyl-4-methyl-, (E)-
- 4-Methyl-3-ethyl-trans-2-pentene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- Tboil : Normal Boiling Point Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -120.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.90 | kJ/mol | NIST |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Inp | [757.00; 777.80] |
|
|
| Inp | 777.80 | NIST | |
| Inp | 767.50 | NIST | |
| Inp | 757.00 | NIST | |
| Tboil | [387.50; 387.50] | K |
|
| Tboil | 387.50 ± 1.00 | K | NIST |
| Tboil | 387.50 ± 0.60 | K | NIST |
Cheméo can also estimate Normal melting (fusion) point, 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 | [161.03; 401.74] | 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 | -1.99390e+01 | |||
| Coefficient B | 7.89680e-01 | |||
| Coefficient C | -5.00700e-04 | |||
| Coefficient D | 1.32700e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.03 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 202.64 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 239.56 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 272.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 300.98 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 326.33 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 348.66 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 368.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 385.95 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 401.74 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.64] | kPa | [282.56; 414.08] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.39340e+01 | |||
| Coefficient B | -3.08041e+03 | |||
| Coefficient C | -5.68300e+01 | |||
| Temperature range, min. | 282.56 | |||
| Temperature range, max. | 414.08 | |||
| Pvap | 1.33 | kPa | 282.56 | Calculated Property |
| Pvap | 3.06 | kPa | 297.17 | Calculated Property |
| Pvap | 6.37 | kPa | 311.79 | Calculated Property |
| Pvap | 12.27 | kPa | 326.40 | Calculated Property |
| Pvap | 22.08 | kPa | 341.01 | Calculated Property |
| Pvap | 37.51 | kPa | 355.63 | Calculated Property |
| Pvap | 60.66 | kPa | 370.24 | Calculated Property |
| Pvap | 93.99 | kPa | 384.85 | Calculated Property |
| Pvap | 140.29 | kPa | 399.47 | Calculated Property |
| Pvap | 202.64 | kPa | 414.08 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3-Ethyl-4-methylpent-2-ene.
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
- The Yaws Handbook of Vapor Pressure
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