- InChI
- InChI=1S/C8H12/c1-3-5-7-8-6-4-2/h3-5,7H,1-2,6,8H2/b7-5+
- InChI Key
- ZTJHDEXGCKAXRZ-FNORWQNLSA-N
- Formula
- C8H12
- SMILES
- C=CC=CCCC=C
- Molecular Weight1
- 108.18
- 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).
- 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 | 0.2521 | Relay (1.0) Calculated Property | |
| ΔfG° | 272.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 120.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 41.87 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.695 | Crippen Calculated Property | |
| McVol | 110.680 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Inp | 788.00 | NIST | |
| Tboil | 387.28 | K | Relay (1.0) Calculated Property |
| Tc | 571.15 | K | Relay (1.0) Calculated Property |
| Tfus | 185.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.400 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [189.08; 251.26] | J/mol×K | [379.96; 559.15] | 
|
| Cp,gas | 189.08 | J/mol×K | 379.96 | Joback Calculated Property |
| Cp,gas | 200.86 | J/mol×K | 409.82 | Joback Calculated Property |
| Cp,gas | 212.03 | J/mol×K | 439.69 | Joback Calculated Property |
| Cp,gas | 222.63 | J/mol×K | 469.55 | Joback Calculated Property |
| Cp,gas | 232.69 | J/mol×K | 499.42 | Joback Calculated Property |
| Cp,gas | 242.22 | J/mol×K | 529.28 | Joback Calculated Property |
| Cp,gas | 251.26 | J/mol×K | 559.15 | Joback Calculated Property |
| η | [0.0001901; 0.0035085] | Pa×s | [171.32; 379.96] |
|
| η | 0.0035085 | Pa×s | 171.32 | Joback Calculated Property |
| η | 0.0014324 | Pa×s | 206.09 | Joback Calculated Property |
| η | 0.0007574 | Pa×s | 240.87 | Joback Calculated Property |
| η | 0.0004703 | Pa×s | 275.64 | Joback Calculated Property |
| η | 0.0003250 | Pa×s | 310.41 | Joback Calculated Property |
| η | 0.0002419 | Pa×s | 345.19 | Joback Calculated Property |
| η | 0.0001901 | Pa×s | 379.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3,7-Octatriene, E.
Sources
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