- InChI
- InChI=1S/C8H14/c1-5-6-8(4)7(2)3/h5,8H,1-2,6H2,3-4H3
- InChI Key
- GRCQSGCHLQHSTC-MRVPVSSYSA-N
- Formula
- C8H14
- SMILES
- C=CCC(C)C(=C)C
- Molecular Weight1
- 124.22
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.2518 | Relay (1.0) Calculated Property | |
| ΔfG° | 181.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -12.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 39.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.775 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2802.44 | kPa | Joback Calculated Property |
| Tboil | 383.08 | K | Relay (1.0) Calculated Property |
| Tc | 549.40 | K | Relay (1.0) Calculated Property |
| Tfus | 148.12 | K | Relay (1.0) Calculated Property |
| Vc | 0.406 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [155.41; 375.30] | 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 | -1.17390e+01 | |||
| Coefficient B | 7.29640e-01 | |||
| Coefficient C | -4.62700e-04 | |||
| Coefficient D | 1.20100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 155.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 193.80 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.81 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 257.83 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 284.23 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 307.39 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 327.70 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 345.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 361.28 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 375.30 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to 2-METHYL-3-ETHYL-1,5-HEXADIENE.
Sources
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