- InChI
- InChI=1S/C8H12/c1-7(2)5-6-8(3)4/h1-4H3
- InChI Key
- SOESISOWJSWAJZ-UHFFFAOYSA-N
- Formula
- C8H12
- SMILES
- CC(C)=C=C=C(C)C
- Molecular Weight1
- 108.18
- 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).
- 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 | 0.1608 | Relay (1.0) Calculated Property | |
| ΔfG° | 336.16 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 208.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.70 | eV | NIST |
| logPoct/wat | 2.673 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 3302.95 | kPa | Joback Calculated Property |
| Tboil | 391.08 | K | Relay (1.0) Calculated Property |
| Tc | 564.97 | K | Relay (1.0) Calculated Property |
| Tfus | 294.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.416 | 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 | [199.64; 261.36] | J/mol×K | [392.90; 596.39] | 
|
| Cp,gas | 199.64 | J/mol×K | 392.90 | Joback Calculated Property |
| Cp,gas | 210.92 | J/mol×K | 426.81 | Joback Calculated Property |
| Cp,gas | 221.81 | J/mol×K | 460.73 | Joback Calculated Property |
| Cp,gas | 232.29 | J/mol×K | 494.64 | Joback Calculated Property |
| Cp,gas | 242.38 | J/mol×K | 528.56 | Joback Calculated Property |
| Cp,gas | 252.07 | J/mol×K | 562.47 | Joback Calculated Property |
| Cp,gas | 261.36 | J/mol×K | 596.39 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3,4-HEXATRIENE, 2,5-DIMETHYL-.
Sources
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