- InChI
- InChI=1S/C10H16/c1-8(2)6-7-10(5)9(3)4/h6-7,10H,1,3H2,2,4-5H3/b7-6+
- InChI Key
- PSZBPDGPFVFTSW-VOTSOKGWSA-N
- Formula
- C10H16
- SMILES
- C=C(C)C=CC(C)C(=C)C
- Molecular Weight1
- 136.23
- CAS
- 42123-66-0
- Other Names
-
- 2,5,6-Trimethyl-1,3,6-heptatriene
- 2,5,6-Trimethyl-hepta-1,3,6-triene
- Hepta-1,3,6-triene, 2,5,6-trimethyl
- 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° | 269.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 93.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.33 | Crippen Calculated Property | |
| logPoct/wat | 3.331 | Crippen Calculated Property | |
| McVol | 138.860 | ml/mol | McGowan Calculated Property |
| Pc | 2441.06 | kPa | Joback Calculated Property |
| Tboil | 425.04 | K | Joback Calculated Property |
| Tc | 613.42 | K | Joback Calculated Property |
| Tfus | 150.94 | K | Joback Calculated Property |
| Vc | 0.533 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [267.95; 346.04] | J/mol×K | [425.04; 613.42] | 
|
| Cp,gas | 267.95 | J/mol×K | 425.04 | Joback Calculated Property |
| Cp,gas | 282.78 | J/mol×K | 456.44 | Joback Calculated Property |
| Cp,gas | 296.84 | J/mol×K | 487.83 | Joback Calculated Property |
| Cp,gas | 310.16 | J/mol×K | 519.23 | Joback Calculated Property |
| Cp,gas | 322.78 | J/mol×K | 550.63 | Joback Calculated Property |
| Cp,gas | 334.72 | J/mol×K | 582.02 | Joback Calculated Property |
| Cp,gas | 346.04 | J/mol×K | 613.42 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6-Heptatriene, 2,5,6-trimethyl-.
Sources
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