- InChI
- InChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-6H,1,3,7H2,2,4H3/b6-5+
- InChI Key
- BEVRACFYDJMTEY-AATRIKPKSA-N
- Formula
- C9H14
- SMILES
- C=C(C)C=CCC(=C)C
- Molecular Weight1
- 122.21
- CAS
- 928-67-6
- 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° | 263.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 119.41 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.41 | kJ/mol | Joback Calculated Property |
| log10WS | -3.15 | Crippen Calculated Property | |
| logPoct/wat | 3.085 | Crippen Calculated Property | |
| McVol | 124.770 | ml/mol | McGowan Calculated Property |
| Pc | 2668.02 | kPa | Joback Calculated Property |
| Tboil | 402.60 | K | Joback Calculated Property |
| Tc | 588.08 | K | Joback Calculated Property |
| Tfus | 154.67 | K | Joback Calculated Property |
| Vc | 0.483 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.40; 297.80] | J/mol×K | [402.60; 588.08] | 
|
| Cp,gas | 227.40 | J/mol×K | 402.60 | Joback Calculated Property |
| Cp,gas | 240.77 | J/mol×K | 433.51 | Joback Calculated Property |
| Cp,gas | 253.43 | J/mol×K | 464.43 | Joback Calculated Property |
| Cp,gas | 265.44 | J/mol×K | 495.34 | Joback Calculated Property |
| Cp,gas | 276.81 | J/mol×K | 526.25 | Joback Calculated Property |
| Cp,gas | 287.59 | J/mol×K | 557.17 | Joback Calculated Property |
| Cp,gas | 297.80 | J/mol×K | 588.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Dimethyl-1,3,6-heptatriene.
Sources
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