- 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
- 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).
- 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.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.2772 | Relay (1.0) Calculated Property | |
| ΔfusH° | 13.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.93 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.58 | eV | Relay (1.0) 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 | 565.21 | K | Relay (1.0) Calculated Property |
| Tfus | 173.54 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | 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.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [172.43; 424.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -2.38390e+01 | |||
| Coefficient B | 8.64660e-01 | |||
| Coefficient C | -5.78000e-04 | |||
| Coefficient D | 1.62000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 172.43 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 216.89 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 256.05 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 290.42 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 320.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 346.85 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 369.94 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 390.29 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 408.41 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 424.82 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 1,5-Heptadiene, 3,6-dimethyl-.
Sources
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