- InChI
- InChI=1S/C9H16/c1-5-9(4)7-6-8(2)3/h5-6,9H,1,7H2,2-4H3
- InChI Key
- JNUKYTOGXQONSJ-UHFFFAOYSA-N
- Formula
- C9H16
- SMILES
- C=CC(C)CC=C(C)C
- Molecular Weight1
- 124.22
- CAS
- 34891-10-6
- 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° | 181.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1.51 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.61 | 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 | 2563.69 | kPa | Joback Calculated Property |
| Tboil | 407.80 ± 2.00 | K | NIST |
| Tc | 587.83 | K | Joback Calculated Property |
| Tfus | 155.39 | K | Joback Calculated Property |
| Vc | 0.495 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [242.59; 317.61] | J/mol×K | [405.60; 587.83] | 
|
| Cp,gas | 242.59 | J/mol×K | 405.60 | Joback Calculated Property |
| Cp,gas | 256.69 | J/mol×K | 435.97 | Joback Calculated Property |
| Cp,gas | 270.12 | J/mol×K | 466.34 | Joback Calculated Property |
| Cp,gas | 282.90 | J/mol×K | 496.71 | Joback Calculated Property |
| Cp,gas | 295.05 | J/mol×K | 527.08 | Joback Calculated Property |
| Cp,gas | 306.62 | J/mol×K | 557.46 | Joback Calculated Property |
| Cp,gas | 317.61 | J/mol×K | 587.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Heptadiene, 3,6-dimethyl-.
Sources
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