- InChI
- InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3,7H,4,6,8H2,1-2H3
- InChI Key
- UHCLKMFELDFBRW-UHFFFAOYSA-N
- Formula
- C8H14
- SMILES
- CC=C=CCCCC
- Molecular Weight1
- 110.20
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 63.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.908 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Tboil | 392.53 | K | Relay (1.0) Calculated Property |
| Tc | 580.42 | K | Relay (1.0) Calculated Property |
| Tfus | 182.16 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, 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 | [158.68; 372.38] | 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 | 9.74300e+00 | |||
| Coefficient B | 6.33140e-01 | |||
| Coefficient C | -3.39800e-04 | |||
| Coefficient D | 6.93000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 158.68 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 194.27 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 226.40 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 255.27 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 281.10 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 304.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 324.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 342.57 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 358.45 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 372.38 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Octa-2,3-diene.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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