- InChI
- InChI=1S/C6H10/c1-3-5-6-4-2/h3,6H,4H2,1-2H3
- InChI Key
- DPUXQWOMYBMHRN-UHFFFAOYSA-N
- Formula
- C6H10
- SMILES
- CC=C=CCC
- Molecular Weight1
- 82.14
- CAS
- 592-49-4
- 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° | 208.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 112.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 29.34 | kJ/mol | Joback Calculated Property |
| IE | 8.76 ± 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 | 3673.09 | kPa | Joback Calculated Property |
| Tboil | 341.15 ± 1.00 | K | NIST |
| Tc | 528.46 | K | Joback Calculated Property |
| Tfus | 158.81 | K | Joback Calculated Property |
| Vc | 0.332 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [138.55; 187.95] | J/mol×K | [344.11; 528.46] | 
|
| Cp,gas | 138.55 | J/mol×K | 344.11 | Joback Calculated Property |
| Cp,gas | 147.61 | J/mol×K | 374.83 | Joback Calculated Property |
| Cp,gas | 156.32 | J/mol×K | 405.56 | Joback Calculated Property |
| Cp,gas | 164.71 | J/mol×K | 436.28 | Joback Calculated Property |
| Cp,gas | 172.77 | J/mol×K | 467.01 | Joback Calculated Property |
| Cp,gas | 180.51 | J/mol×K | 497.73 | Joback Calculated Property |
| Cp,gas | 187.95 | J/mol×K | 528.46 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Hexadiene.
Sources
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