- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h5H,1,4,6H2,2H3
- InChI Key
- XIAJQOBRHVKGSP-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- C=C=CCCC
- Molecular Weight1
- 82.14
- CAS
- 592-44-9
- 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 |
|---|---|---|---|
| ΔfG° | 215.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 121.04 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.71 | kJ/mol | Joback Calculated Property |
| IE | 9.00 ± 0.05 | eV | NIST |
| log10WS | -2.06 | Crippen Calculated Property | |
| logPoct/wat | 2.128 | Crippen Calculated Property | |
| McVol | 86.800 | ml/mol | McGowan Calculated Property |
| Pc | 3628.97 | kPa | Joback Calculated Property |
| Tboil | [348.00; 351.00] | K |
|
| Tboil | 348.00 ± 2.00 | K | NIST |
| Tboil | 348.65 ± 4.00 | K | NIST |
| Tboil | 351.00 ± 2.00 | K | NIST |
| Tc | 514.92 | K | Joback Calculated Property |
| Tfus | 162.13 | K | Joback Calculated Property |
| Vc | 0.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [139.77; 187.34] | J/mol×K | [336.63; 514.92] |
|
| Cp,gas | 139.77 | J/mol×K | 336.63 | Joback Calculated Property |
| Cp,gas | 148.37 | J/mol×K | 366.35 | Joback Calculated Property |
| Cp,gas | 156.69 | J/mol×K | 396.06 | Joback Calculated Property |
| Cp,gas | 164.75 | J/mol×K | 425.78 | Joback Calculated Property |
| Cp,gas | 172.54 | J/mol×K | 455.49 | Joback Calculated Property |
| Cp,gas | 180.07 | J/mol×K | 485.21 | Joback Calculated Property |
| Cp,gas | 187.34 | J/mol×K | 514.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Hexadiene.
Sources
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