- InChI
- InChI=1S/C8H16/c1-5-6-8(4)7(2)3/h6-7H,5H2,1-4H3/b8-6+
- InChI Key
- PRTXQHCLTIKAAJ-SOFGYWHQSA-N
- Formula
- C8H16
- SMILES
- CCC=C(C)C(C)C
- Molecular Weight1
- 112.21
- Other Names
-
- 3-Hexene, 2,3-dimethyl-, trans
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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 | 0.2672 | Relay (1.0) Calculated Property | |
| ΔfG° | 85.71 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -119.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.999 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2709.85 | kPa | Joback Calculated Property |
| Inp | [741.00; 766.50] |
|
|
| Inp | 766.50 | NIST | |
| Inp | 755.80 | NIST | |
| Inp | 741.00 | NIST | |
| Inp | 751.00 | NIST | |
| Tboil | 385.08 | K | Relay (1.0) Calculated Property |
| Tc | 544.25 | K | Relay (1.0) Calculated Property |
| Tfus | 156.45 | K | Relay (1.0) Calculated Property |
| Vc | 0.434 | 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.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [217.93; 290.49] | J/mol×K | [386.04; 565.46] |
|
| Cp,gas | 217.93 | J/mol×K | 386.04 | Joback Calculated Property |
| Cp,gas | 231.45 | J/mol×K | 415.94 | Joback Calculated Property |
| Cp,gas | 244.37 | J/mol×K | 445.85 | Joback Calculated Property |
| Cp,gas | 256.71 | J/mol×K | 475.75 | Joback Calculated Property |
| Cp,gas | 268.50 | J/mol×K | 505.65 | Joback Calculated Property |
| Cp,gas | 279.75 | J/mol×K | 535.55 | Joback Calculated Property |
| Cp,gas | 290.49 | J/mol×K | 565.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2,3-Dimethylhex-3-ene.
Sources
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