- InChI
- InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,6-7H,5H2,1-3H3
- InChI Key
- MBNDKEPQUVZHCM-UHFFFAOYSA-N
- Formula
- C7H14
- SMILES
- CC=CC(C)CC
- Molecular Weight1
- 98.19
- CAS
- 3404-55-5
- Other Names
-
- 2-Hexene, 4-methyl-
- 4-Methyl-2-hexene
- 4-Methyl-2-hexene (c,t)
- 4-methylhex-2-ene
- 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).
- 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 | 0.2683 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -111.73 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.88 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.609 | Crippen Calculated Property | |
| McVol | 105.190 | ml/mol | McGowan Calculated Property |
| Pc | 2986.06 | kPa | Joback Calculated Property |
| Inp | [661.00; 705.00] |
|
|
| Inp | 663.00 | NIST | |
| Inp | 705.00 | NIST | |
| Inp | 661.00 | NIST | |
| Inp | 663.00 | NIST | |
| Inp | 661.00 | NIST | |
| Tboil | 357.38 | K | Relay (1.0) Calculated Property |
| Tc | 524.01 | K | Relay (1.0) Calculated Property |
| Tfus | 147.30 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.391 | 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 | [139.66; 350.42] | 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 | -1.93390e+01 | |||
| Coefficient B | 6.94760e-01 | |||
| Coefficient C | -4.44000e-04 | |||
| Coefficient D | 1.19000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 139.66 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 176.15 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 208.49 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 237.07 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 262.25 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 284.41 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 303.93 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 321.19 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 336.56 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 350.42 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0101484; 0.0001723] | Pa×s | [147.30; 378.01] |
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 | -1.12681e+01 | |||
| Coefficient B | 9.83620e+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. | 147.30 | |||
| Temperature range, max. | 378.01 | |||
| η | 0.0101484 | Pa×s | 147.30 | Calculated Property |
| η | 0.0037715 | Pa×s | 172.93 | Calculated Property |
| η | 0.0018097 | Pa×s | 198.57 | Calculated Property |
| η | 0.0010272 | Pa×s | 224.20 | Calculated Property |
| η | 0.0006549 | Pa×s | 249.84 | Calculated Property |
| η | 0.0004540 | Pa×s | 275.47 | Calculated Property |
| η | 0.0003350 | Pa×s | 301.11 | Calculated Property |
| η | 0.0002592 | Pa×s | 326.74 | Calculated Property |
| η | 0.0002083 | Pa×s | 352.38 | Calculated Property |
| η | 0.0001723 | Pa×s | 378.01 | Calculated Property |
Similar Compounds
Find more compounds similar to 4-Methyl-2-hexene,c&t.
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).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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