- InChI
- InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5,8H,1-2,6H2,3-4H3
- InChI Key
- GRCQSGCHLQHSTC-MRVPVSSYSA-N
- Formula
- C8H14
- SMILES
- C=CCC(C)C(=C)C
- Molecular Weight1
- 124.22
- 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).
- 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).
- 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 | 0.2518 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.775 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Tboil | 383.08 | K | Relay (1.0) Calculated Property |
| Tc | 541.47 | K | Relay (1.0) Calculated Property |
| Tfus | 146.77 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [203.25; 270.56] | J/mol×K | [375.24; 552.99] | 
|
| Cp,gas | 203.25 | J/mol×K | 375.24 | Joback Calculated Property |
| Cp,gas | 215.79 | J/mol×K | 404.86 | Joback Calculated Property |
| Cp,gas | 227.78 | J/mol×K | 434.49 | Joback Calculated Property |
| Cp,gas | 239.24 | J/mol×K | 464.11 | Joback Calculated Property |
| Cp,gas | 250.17 | J/mol×K | 493.74 | Joback Calculated Property |
| Cp,gas | 260.61 | J/mol×K | 523.36 | Joback Calculated Property |
| Cp,gas | 270.56 | J/mol×K | 552.99 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-METHYL-3-ETHYL-1,5-HEXADIENE.
Sources
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