- InChI
- InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3
- InChI Key
- RYPKRALMXUUNKS-UHFFFAOYSA-N
- Formula
- C6H12
- SMILES
- CC=CCCC
- Molecular Weight1
- 84.16
- CAS
- 592-43-8
- Other Names
-
- 2-Hexene (c,t)
- 2-Hexene cis + trans
- 2-Hexene,c&t
- Hexene-(2)
- hex-2-ene
- trans-2-Hexene
- ω : Acentric Factor.
- Cp,gas : Ideal gas 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor 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 | 0.2421 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ΔfG° | 79.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -69.91 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.22 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 ± 0.02 | eV | NIST |
| logPoct/wat | 2.363 | Crippen Calculated Property | |
| McVol | 91.100 | ml/mol | McGowan Calculated Property |
| Pc | 3268.80 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Inp | [598.00; 607.00] |
|
|
| Inp | 598.00 | NIST | |
| Inp | 604.00 | NIST | |
| Inp | 607.00 | NIST | |
| Inp | 607.00 | NIST | |
| Tboil | [339.40; 355.15] | K |
|
| Tboil | 341.20 | K | NIST |
| Tboil | 341.20 ± 0.20 | K | NIST |
| Tboil | 341.25 ± 0.20 | K | NIST |
| Tboil | Outlier 355.15 ± 0.50 | K | NIST |
| Tboil | 340.15 ± 2.00 | K | NIST |
| Tboil | 339.40 ± 2.00 | K | NIST |
| Tboil | 340.70 ± 1.50 | K | NIST |
| Tboil | 341.15 ± 0.50 | K | NIST |
| Tboil | 341.95 ± 2.00 | K | NIST |
| Tboil | 341.15 ± 0.60 | K | NIST |
| Tboil | 341.25 ± 0.60 | K | NIST |
| Tc | 516.48 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tfus | 174.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.353 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.76; 298.29] | 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 | -1.67480e+01 | |||
| Coefficient B | 5.93840e-01 | |||
| Coefficient C | -3.86400e-04 | |||
| Coefficient D | 1.07600e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 118.76 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 149.74 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 177.17 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 201.39 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 222.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 241.55 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 258.17 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 272.94 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 286.20 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 298.29 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0020315; 0.0001611] | Pa×s | [174.15; 361.54] |
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 | -1.10893e+01 | |||
| Coefficient B | 8.51640e+02 | |||
| 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. | 174.15 | |||
| Temperature range, max. | 361.54 | |||
| η | 0.0020315 | Pa×s | 174.15 | Calculated Property |
| η | 0.0012051 | Pa×s | 194.97 | Calculated Property |
| η | 0.0007906 | Pa×s | 215.79 | Calculated Property |
| η | 0.0005587 | Pa×s | 236.61 | Calculated Property |
| η | 0.0004176 | Pa×s | 257.43 | Calculated Property |
| η | 0.0003260 | Pa×s | 278.25 | Calculated Property |
| η | 0.0002634 | Pa×s | 299.08 | Calculated Property |
| η | 0.0002189 | Pa×s | 319.90 | Calculated Property |
| η | 0.0001860 | Pa×s | 340.72 | Calculated Property |
| η | 0.0001611 | Pa×s | 361.54 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.67] | kPa | [250.42; 363.12] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.48705e+01 | |||
| Coefficient B | -3.12701e+03 | |||
| Coefficient C | -3.59900e+01 | |||
| Temperature range, min. | 250.42 | |||
| Temperature range, max. | 363.12 | |||
| Pvap | 1.33 | kPa | 250.42 | Calculated Property |
| Pvap | 2.98 | kPa | 262.94 | Calculated Property |
| Pvap | 6.13 | kPa | 275.46 | Calculated Property |
| Pvap | 11.72 | kPa | 287.99 | Calculated Property |
| Pvap | 21.09 | kPa | 300.51 | Calculated Property |
| Pvap | 35.99 | kPa | 313.03 | Calculated Property |
| Pvap | 58.64 | kPa | 325.55 | Calculated Property |
| Pvap | 91.75 | kPa | 338.08 | Calculated Property |
| Pvap | 138.53 | kPa | 350.60 | Calculated Property |
| Pvap | 202.67 | kPa | 363.12 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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