- InChI
- InChI=1S/C6H8/c1-3-5-6-4-2/h1,4,6H,5H2,2H3/b6-4+
- InChI Key
- JLXNEPDKUYQIPV-GQCTYLIASA-N
- Formula
- C6H8
- SMILES
- C#CCC=CC
- Molecular Weight1
- 80.13
- CAS
- 31516-63-9
- 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 | 0.1720 | Relay (... Calculated Property | |
| ΔfG° | 302.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 231.60 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 14.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 32.72 | kJ/mol | Relay (... Calculated Property |
| IE | 9.41 | eV | Relay (... Calculated Property |
| log10WS | -1.91 | Relay (... Calculated Property | |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 3935.71 | kPa | Joback Calculated Property |
| Tboil | 350.47 | K | Relay (... Calculated Property |
| Tc | 509.00 | K | Relay (... Calculated Property |
| Tfus | 170.32 | K | Relay (... Calculated Property |
| Vc | 0.285 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [125.17; 170.53] | J/mol×K | [330.96; 516.12] | 
|
| Cp,gas | 125.17 | J/mol×K | 330.96 | Joback Calculated Property |
| Cp,gas | 133.83 | J/mol×K | 361.82 | Joback Calculated Property |
| Cp,gas | 142.01 | J/mol×K | 392.68 | Joback Calculated Property |
| Cp,gas | 149.75 | J/mol×K | 423.54 | Joback Calculated Property |
| Cp,gas | 157.07 | J/mol×K | 454.40 | Joback Calculated Property |
| Cp,gas | 163.99 | J/mol×K | 485.26 | Joback Calculated Property |
| Cp,gas | 170.53 | J/mol×K | 516.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Hexen-1-yne, (E)-.
Sources
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