- InChI
- InChI=1S/C9H16/c1-8(2)6-5-7-9(3)4/h5-8H,1-4H3/b6-5+
- InChI Key
- HQTKNGJJNNTBLG-AATRIKPKSA-N
- Formula
- C9H16
- SMILES
- CC(C)=CC=CC(C)C
- Molecular Weight1
- 124.22
- CAS
- 4634-87-1
- Other Names
-
- 2,6-dimethyl-2,4-heptadiene
- 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° | 174.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -9.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.24 | kJ/mol | Joback Calculated Property |
| log10WS | -3.06 | Crippen Calculated Property | |
| logPoct/wat | 3.165 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2589.85 | kPa | Joback Calculated Property |
| Tboil | 413.08 | K | Joback Calculated Property |
| Tc | 600.66 | K | Joback Calculated Property |
| Tfus | 152.07 | K | Joback Calculated Property |
| Vc | 0.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [243.19; 319.47] | J/mol×K | [413.08; 600.66] | 
|
| Cp,gas | 243.19 | J/mol×K | 413.08 | Joback Calculated Property |
| Cp,gas | 257.66 | J/mol×K | 444.34 | Joback Calculated Property |
| Cp,gas | 271.38 | J/mol×K | 475.61 | Joback Calculated Property |
| Cp,gas | 284.38 | J/mol×K | 506.87 | Joback Calculated Property |
| Cp,gas | 296.71 | J/mol×K | 538.13 | Joback Calculated Property |
| Cp,gas | 308.40 | J/mol×K | 569.40 | Joback Calculated Property |
| Cp,gas | 319.47 | J/mol×K | 600.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Heptadiene, 2,6-dimethyl-.
Sources
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