- InChI
- InChI=1S/C9H14/c1-8(2)6-5-7-9(3)4/h5-7H,1H2,2-4H3/b6-5+
- InChI Key
- UTPOSGXXIJEVFD-AATRIKPKSA-N
- Formula
- C9H14
- SMILES
- C=C(C)C=CC=C(C)C
- Molecular Weight1
- 122.21
- Other Names
-
- (E)-2,6-Dimethyl-1,3,5-heptatriene
- 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).
- Inp : Non-polar retention indices.
- 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° | 256.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 111.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.03 | 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 | 2695.80 | kPa | Joback Calculated Property |
| Inp | [837.00; 837.00] |
|
|
| Inp | 837.00 | NIST | |
| Inp | 837.00 | NIST | |
| Tboil | 410.08 | K | Joback Calculated Property |
| Tc | 601.06 | K | Joback Calculated Property |
| Tfus | 151.35 | K | Joback Calculated Property |
| Vc | 0.482 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [227.75; 299.30] | J/mol×K | [410.08; 601.06] |
|
| Cp,gas | 227.75 | J/mol×K | 410.08 | Joback Calculated Property |
| Cp,gas | 241.46 | J/mol×K | 441.91 | Joback Calculated Property |
| Cp,gas | 254.41 | J/mol×K | 473.74 | Joback Calculated Property |
| Cp,gas | 266.62 | J/mol×K | 505.57 | Joback Calculated Property |
| Cp,gas | 278.15 | J/mol×K | 537.40 | Joback Calculated Property |
| Cp,gas | 289.03 | J/mol×K | 569.23 | Joback Calculated Property |
| Cp,gas | 299.30 | J/mol×K | 601.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Dimethylhepta-1,3,5-triene.
Sources
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