- InChI
- InChI=1S/C6H8/c1-3-5-6-4-2/h3,6H,1-2,5H2
- InChI Key
- KHQKGRVDIZQGHT-UHFFFAOYSA-N
- Formula
- C6H8
- SMILES
- C=C=CCC=C
- Molecular Weight1
- 80.13
- CAS
- 116377-11-8
- 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).
- 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° | 303.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 246.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.05 | kJ/mol | Joback Calculated Property |
| log10WS | -1.92 | Crippen Calculated Property | |
| logPoct/wat | 1.904 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 3819.82 | kPa | Joback Calculated Property |
| Tboil | 333.31 | K | Joback Calculated Property |
| Tc | 515.51 | K | Joback Calculated Property |
| Tfus | 160.37 | K | Joback Calculated Property |
| Vc | 0.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [127.23; 170.47] | J/mol×K | [333.31; 515.51] | 
|
| Cp,gas | 127.23 | J/mol×K | 333.31 | Joback Calculated Property |
| Cp,gas | 135.14 | J/mol×K | 363.68 | Joback Calculated Property |
| Cp,gas | 142.76 | J/mol×K | 394.04 | Joback Calculated Property |
| Cp,gas | 150.10 | J/mol×K | 424.41 | Joback Calculated Property |
| Cp,gas | 157.16 | J/mol×K | 454.77 | Joback Calculated Property |
| Cp,gas | 163.95 | J/mol×K | 485.14 | Joback Calculated Property |
| Cp,gas | 170.47 | J/mol×K | 515.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2,5-Hexatriene.
Sources
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