- InChI
- InChI=1S/C8H14/c1-3-5-7-8-6-4-2/h3-6H,7-8H2,1-2H3/b5-3+,6-4+
- InChI Key
- LAGGTOBQMQHXON-GGWOSOGESA-N
- Formula
- C8H14
- SMILES
- C/C=C/CC/C=C/C
- Molecular Weight1
- 110.20
- Other Names
-
- trans,trans-2,6-Octadiene
- (2E,6E)-2,6-Octadiene
- trans-2,trans-6-Octadiene
- 2,6-Octadiene, (2E,6E)-
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | 0.2916 | Relay (1.0) Calculated Property | |
| ΔfG° | 176.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.94 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.75 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 2.919 | Crippen Calculated Property | |
| McVol | 114.980 | ml/mol | McGowan Calculated Property |
| Pc | 2823.32 | kPa | Joback Calculated Property |
| Inp | [792.30; 796.00] |
|
|
| Inp | 792.30 | NIST | |
| Inp | 796.00 | NIST | |
| Inp | 793.40 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 794.00 | NIST | |
| Inp | 792.30 | NIST | |
| Tboil | 401.00 | K | Relay (1.0) Calculated Property |
| Tc | 567.24 | K | Relay (1.0) Calculated Property |
| Tfus | 192.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.424 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [147.19; 370.89] | 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 | -3.27480e+01 | |||
| Coefficient B | 8.03840e-01 | |||
| Coefficient C | -5.79000e-04 | |||
| Coefficient D | 1.78800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 147.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 187.08 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 221.90 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 252.20 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 278.56 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 301.53 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 321.68 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 339.58 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 355.80 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 370.89 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0049045; 0.0001561] | Pa×s | [169.76; 400.31] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.13037e+01 | |||
| Coefficient B | 1.01620e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 169.76 | |||
| Temperature range, max. | 400.31 | |||
| η | 0.0049045 | Pa×s | 169.76 | Calculated Property |
| η | 0.0022374 | Pa×s | 195.38 | Calculated Property |
| η | 0.0012243 | Pa×s | 220.99 | Calculated Property |
| η | 0.0007594 | Pa×s | 246.61 | Calculated Property |
| η | 0.0005153 | Pa×s | 272.23 | Calculated Property |
| η | 0.0003738 | Pa×s | 297.84 | Calculated Property |
| η | 0.0002853 | Pa×s | 323.46 | Calculated Property |
| η | 0.0002265 | Pa×s | 349.07 | Calculated Property |
| η | 0.0001857 | Pa×s | 374.69 | Calculated Property |
| η | 0.0001561 | Pa×s | 400.31 | Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Octadiene, (E,E)-.
Sources
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