- InChI
- InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-7H,1,8H2,2H3/b6-4+,7-5+
- InChI Key
- PKHBEGZTQNOZLP-YDFGWWAZSA-N
- Formula
- C8H12
- SMILES
- C=CC=CCC=CC
- Molecular Weight1
- 108.18
- CAS
- 22038-69-3
- Other Names
-
- (E,E)-1,3,6-Octatriene
- trans,trans-1,3,6-Octatriene
- (3E,6E)-1,3,6-Octatriene
- (E,E,E)-1,3,6-octatriene
- 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).
- 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).
- I : 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 |
|---|---|---|---|
| ΔfG° | 264.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 151.42 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.60 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.65 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 2.695 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 2953.69 | kPa | Joback Calculated Property |
| I | [1048.00; 1098.00] |
|
|
| I | 1098.00 | NIST | |
| I | 1048.00 | NIST | |
| I | 1048.00 | NIST | |
| Tboil | 387.44 | K | Joback Calculated Property |
| Tc | 572.16 | K | Joback Calculated Property |
| Tfus | 168.00 | K | Joback Calculated Property |
| Vc | 0.424 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.00; 252.44] | J/mol×K | [387.44; 572.16] |
|
| Cp,gas | 189.00 | J/mol×K | 387.44 | Joback Calculated Property |
| Cp,gas | 201.15 | J/mol×K | 418.23 | Joback Calculated Property |
| Cp,gas | 212.62 | J/mol×K | 449.01 | Joback Calculated Property |
| Cp,gas | 223.45 | J/mol×K | 479.80 | Joback Calculated Property |
| Cp,gas | 233.67 | J/mol×K | 510.59 | Joback Calculated Property |
| Cp,gas | 243.32 | J/mol×K | 541.37 | Joback Calculated Property |
| Cp,gas | 252.44 | J/mol×K | 572.16 | Joback Calculated Property |
| η | [0.0001616; 0.0039890] | Pa×s | [168.00; 387.44] |
|
| η | 0.0039890 | Pa×s | 168.00 | Joback Calculated Property |
| η | 0.0014499 | Pa×s | 204.57 | Joback Calculated Property |
| η | 0.0007163 | Pa×s | 241.15 | Joback Calculated Property |
| η | 0.0004262 | Pa×s | 277.72 | Joback Calculated Property |
| η | 0.0002861 | Pa×s | 314.29 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 350.87 | Joback Calculated Property |
| η | 0.0001616 | Pa×s | 387.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,6-Octatriene, (E,E)-.
Sources
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