- InChI
- InChI=1S/C9H16/c1-5-9(4)7-6-8(2)3/h5,9H,1-2,6-7H2,3-4H3
- InChI Key
- QDURDEDFGSDOQY-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- C=CC(C)CCC(=C)C
- Molecular Weight1
- 124.23
- Other Names
-
- 2,5-Dimethyl-1,6-heptadiene
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3136 | Relay (1.0) Calculated Property | |
| ΔfusH° | 11.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.165 | Crippen Calculated Property | |
| McVol | 129.070 | ml/mol | McGowan Calculated Property |
| Pc | 2537.93 | kPa | Joback Calculated Property |
| Inp | 1228.00 | NIST | |
| Tboil | 401.65 | K | Relay (1.0) Calculated Property |
| Tc | 562.32 | K | Relay (1.0) Calculated Property |
| Tfus | 181.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.464 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.03; 315.68] | J/mol×K | [398.12; 575.10] | 
|
| Cp,gas | 242.03 | J/mol×K | 398.12 | Joback Calculated Property |
| Cp,gas | 255.75 | J/mol×K | 427.62 | Joback Calculated Property |
| Cp,gas | 268.86 | J/mol×K | 457.11 | Joback Calculated Property |
| Cp,gas | 281.39 | J/mol×K | 486.61 | Joback Calculated Property |
| Cp,gas | 293.36 | J/mol×K | 516.10 | Joback Calculated Property |
| Cp,gas | 304.78 | J/mol×K | 545.60 | Joback Calculated Property |
| Cp,gas | 315.68 | J/mol×K | 575.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,6-Heptadiene, 2,5-dimethyl-.
Sources
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