- InChI
- InChI=1S/C8H16/c1-5-6-7-8(2,3)4/h5-6H,7H2,1-4H3/b6-5+
- InChI Key
- NWZJLSKAFZXSQH-AATRIKPKSA-N
- Formula
- C8H16
- SMILES
- CC=CCC(C)(C)C
- Molecular Weight1
- 112.21
- CAS
- 39782-43-9
- Other Names
-
- (E)-5,5-Dimethyl-2-hexene
- (E)-5,5-Dimethylhex-2-ene
- 5,5-Dimethyl-2-hexene (trans)
- 5,5-Dimethyl-trans-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.
- 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 | -137.50 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.26 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.10 | kJ/mol | NIST |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Inp | [706.00; 716.80] |
|
|
| Inp | 716.80 | NIST | |
| Inp | 706.20 | NIST | |
| Inp | 709.50 | NIST | |
| Inp | 712.50 | NIST | |
| Inp | 712.50 | NIST | |
| Inp | 708.00 | NIST | |
| Inp | 706.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 707.00 | NIST | |
| Inp | 716.80 | NIST | |
| Inp | 708.00 | NIST | |
| Tboil | 377.30 ± 0.50 | K | NIST |
| Tc | 533.14 | K | Relay (1.0) Calculated Property |
| Tfus | 179.00 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [219.13; 295.30] | J/mol×K | [383.37; 566.77] |
|
| Cp,gas | 219.13 | J/mol×K | 383.37 | Joback Calculated Property |
| Cp,gas | 233.64 | J/mol×K | 413.94 | Joback Calculated Property |
| Cp,gas | 247.38 | J/mol×K | 444.50 | Joback Calculated Property |
| Cp,gas | 260.39 | J/mol×K | 475.07 | Joback Calculated Property |
| Cp,gas | 272.68 | J/mol×K | 505.64 | Joback Calculated Property |
| Cp,gas | 284.31 | J/mol×K | 536.21 | Joback Calculated Property |
| Cp,gas | 295.30 | J/mol×K | 566.77 | Joback Calculated Property |
| η | [0.0002263; 0.0110015] | Pa×s | [177.26; 383.37] |
|
| η | 0.0110015 | Pa×s | 177.26 | Joback Calculated Property |
| η | 0.0034054 | Pa×s | 211.61 | Joback Calculated Property |
| η | 0.0014626 | Pa×s | 245.96 | Joback Calculated Property |
| η | 0.0007728 | Pa×s | 280.31 | Joback Calculated Property |
| η | 0.0004693 | Pa×s | 314.67 | Joback Calculated Property |
| η | 0.0003144 | Pa×s | 349.02 | Joback Calculated Property |
| η | 0.0002263 | Pa×s | 383.37 | Joback Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [275.93; 425.55] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.23577e+01 | |||
| Coefficient B | -2.53285e+03 | |||
| Coefficient C | -6.60830e+01 | |||
| Temperature range, min. | 275.93 | |||
| Temperature range, max. | 425.55 | |||
| Pvap | 1.33 | kPa | 275.93 | Calculated Property |
| Pvap | 3.23 | kPa | 292.55 | Calculated Property |
| Pvap | 6.95 | kPa | 309.18 | Calculated Property |
| Pvap | 13.54 | kPa | 325.80 | Calculated Property |
| Pvap | 24.34 | kPa | 342.43 | Calculated Property |
| Pvap | 40.94 | kPa | 359.05 | Calculated Property |
| Pvap | 65.13 | kPa | 375.68 | Calculated Property |
| Pvap | 98.83 | kPa | 392.30 | Calculated Property |
| Pvap | 144.01 | kPa | 408.93 | Calculated Property |
| Pvap | 202.66 | kPa | 425.55 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexene, 5,5-dimethyl-, (E)-.
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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