- InChI
- InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h5-6H,7H2,1-4H3/b6-5-
- InChI Key
- NWZJLSKAFZXSQH-WAYWQWQTSA-N
- Formula
- C8H16
- SMILES
- C/C=C\CC(C)(C)C
- Molecular Weight1
- 112.22
- CAS
- 39761-61-0
- Other Names
-
- (2Z)-5,5-Dimethyl-2-hexene
- (Z)-5,5-Dimethylhex-2-ene
- 5,5-Dimethyl-2-hexene (cis)
- 5,5-Dimethyl-2-hexene, (2Z)-
- 5,5-Dimethyl-cis-2-hexene
- cis-2-Hexene, 5,5-dimethyl
- cis-5,5-Dimethyl-2-Hexene
- 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.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical 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 | -116.83 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.10 | kJ/mol | NIST |
| IE | 8.91 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Inp | [709.00; 732.50] |
|
|
| Inp | 732.50 | NIST | |
| Inp | 721.80 | NIST | |
| Inp | 723.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 725.00 | NIST | |
| Inp | 724.00 | NIST | |
| Inp | 721.50 | NIST | |
| Inp | 723.50 | NIST | |
| Inp | Outlier 709.00 | NIST | |
| Inp | 732.50 | NIST | |
| Inp | 725.00 | NIST | |
| Ip | 757.00 | NIST | |
| Tboil | 380.10 ± 0.50 | K | NIST |
| Tc | 545.30 | K | Relay (1.0) Calculated Property |
| Tfus | 156.02 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate 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 | [159.73; 402.94] | 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 | -4.30390e+01 | |||
| Coefficient B | 9.09680e-01 | |||
| Coefficient C | -6.67000e-04 | |||
| Coefficient D | 2.03300e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 159.73 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 204.31 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 243.00 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 276.44 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 305.28 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 330.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 351.72 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 370.61 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 387.47 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 402.94 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0110015; 0.0002019] | Pa×s | [177.26; 396.95] |
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 | -1.17336e+01 | |||
| Coefficient B | 1.28050e+03 | |||
| 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. | 177.26 | |||
| Temperature range, max. | 396.95 | |||
| η | 0.0110015 | Pa×s | 177.26 | Calculated Property |
| η | 0.0045890 | Pa×s | 201.67 | Calculated Property |
| η | 0.0023120 | Pa×s | 226.08 | Calculated Property |
| η | 0.0013313 | Pa×s | 250.49 | Calculated Property |
| η | 0.0008456 | Pa×s | 274.90 | Calculated Property |
| η | 0.0005783 | Pa×s | 299.31 | Calculated Property |
| η | 0.0004189 | Pa×s | 323.72 | Calculated Property |
| η | 0.0003174 | Pa×s | 348.13 | Calculated Property |
| η | 0.0002494 | Pa×s | 372.54 | Calculated Property |
| η | 0.0002019 | Pa×s | 396.95 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [277.75; 424.65] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.25753e+01 | |||
| Coefficient B | -2.60996e+03 | |||
| Coefficient C | -6.53430e+01 | |||
| Temperature range, min. | 277.75 | |||
| Temperature range, max. | 424.65 | |||
| Pvap | 1.33 | kPa | 277.75 | Calculated Property |
| Pvap | 3.20 | kPa | 294.07 | Calculated Property |
| Pvap | 6.85 | kPa | 310.39 | Calculated Property |
| Pvap | 13.33 | kPa | 326.72 | Calculated Property |
| Pvap | 23.97 | kPa | 343.04 | Calculated Property |
| Pvap | 40.38 | kPa | 359.36 | Calculated Property |
| Pvap | 64.41 | kPa | 375.68 | Calculated Property |
| Pvap | 98.05 | kPa | 392.01 | Calculated Property |
| Pvap | 143.41 | kPa | 408.33 | Calculated Property |
| Pvap | 202.63 | kPa | 424.65 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 5,5-dimethyl-, (Z)-.
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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