- InChI
- InChI=1S/C16H26/c1-6-9-15(4)12-8-13-16(5)11-7-10-14(2)3/h9-10,13,15H,1,7-8,11-12H2,2-5H3/b16-13+
- InChI Key
- NQEIPLKZPFTJNE-DTQAZKPQSA-N
- Formula
- C16H26
- SMILES
- C=C=CC(C)CCC=C(C)CCC=C(C)C
- Molecular Weight1
- 218.38
- 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).
- 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 | 0.4469 | Relay (... Calculated Property | |
| ΔfG° | 440.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 10.91 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 32.31 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 65.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.16 | eV | Relay (... Calculated Property |
| log10WS | -5.64 | Relay (... Calculated Property | |
| logPoct/wat | 5.436 | Crippen Calculated Property | |
| McVol | 219.100 | ml/mol | McGowan Calculated Property |
| Pc | 1602.56 | kPa | Joback Calculated Property |
| Inp | 1582.00 | NIST | |
| Tboil | 530.07 | K | Relay (... Calculated Property |
| Tc | 697.90 | K | Relay (... Calculated Property |
| Tfus | 220.27 | K | Relay (... Calculated Property |
| Vc | 0.767 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [537.51; 637.37] | J/mol×K | [573.07; 763.90] | 
|
| Cp,gas | 537.51 | J/mol×K | 573.07 | Joback Calculated Property |
| Cp,gas | 556.37 | J/mol×K | 604.87 | Joback Calculated Property |
| Cp,gas | 574.28 | J/mol×K | 636.68 | Joback Calculated Property |
| Cp,gas | 591.30 | J/mol×K | 668.48 | Joback Calculated Property |
| Cp,gas | 607.45 | J/mol×K | 700.29 | Joback Calculated Property |
| Cp,gas | 622.80 | J/mol×K | 732.09 | Joback Calculated Property |
| Cp,gas | 637.37 | J/mol×K | 763.90 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E,E)-4,8,12-Trimethyl-1,2,7,11-tridecatetraene.
Sources
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