- InChI
- InChI=1S/C8H16/c1-4-7-8(5-2)6-3/h5H,4,6-7H2,1-3H3/b8-5+
- InChI Key
- QEMJIDSLEPYRLM-VMPITWQZSA-N
- Formula
- C8H16
- SMILES
- CC=C(CC)CCC
- Molecular Weight1
- 112.21
- 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).
- log10WS : Log10 of Water solubility in mol/l.
- 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 |
|---|---|---|---|
| ΔfG° | 88.15 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -101.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.44 | kJ/mol | Joback Calculated Property |
| log10WS | -3.02 | Crippen Calculated Property | |
| logPoct/wat | 3.143 | Crippen Calculated Property | |
| McVol | 119.280 | ml/mol | McGowan Calculated Property |
| Pc | 2687.42 | kPa | Joback Calculated Property |
| Inp | [793.00; 793.00] |
|
|
| Inp | 793.00 | NIST | |
| Inp | 793.00 | NIST | |
| Inp | 793.00 | NIST | |
| Tboil | 386.48 | K | Joback Calculated Property |
| Tc | 561.75 | K | Joback Calculated Property |
| Tfus | 160.88 | K | Joback Calculated Property |
| Vc | 0.465 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [218.03; 288.64] | J/mol×K | [386.48; 561.75] |
|
| Cp,gas | 218.03 | J/mol×K | 386.48 | Joback Calculated Property |
| Cp,gas | 231.15 | J/mol×K | 415.69 | Joback Calculated Property |
| Cp,gas | 243.70 | J/mol×K | 444.90 | Joback Calculated Property |
| Cp,gas | 255.70 | J/mol×K | 474.11 | Joback Calculated Property |
| Cp,gas | 267.18 | J/mol×K | 503.32 | Joback Calculated Property |
| Cp,gas | 278.15 | J/mol×K | 532.54 | Joback Calculated Property |
| Cp,gas | 288.64 | J/mol×K | 561.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Hexene, 3-ethyl.
Sources
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