- InChI
- InChI=1S/C6H8/c1-3-5-6-4-2/h3,5H,1-2H3/b5-3-
- InChI Key
- MASVKQBLNPTZME-HYXAFXHYSA-N
- Formula
- C6H8
- SMILES
- CC#CC=CC
- Molecular Weight1
- 80.13
- CAS
- 30626-48-3
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 282.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 222.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 31.06 | kJ/mol | Joback Calculated Property |
| log10WS | -1.98 | Crippen Calculated Property | |
| logPoct/wat | 1.586 | Crippen Calculated Property | |
| McVol | 82.500 | ml/mol | McGowan Calculated Property |
| Pc | 3995.65 | kPa | Joback Calculated Property |
| Tboil | 349.84 | K | Joback Calculated Property |
| Tc | 549.54 | K | Joback Calculated Property |
| Tfus | 258.40 | K | Joback Calculated Property |
| Vc | 0.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [123.85; 170.33] | J/mol×K | [349.84; 549.54] | 
|
| Cp,gas | 123.85 | J/mol×K | 349.84 | Joback Calculated Property |
| Cp,gas | 132.61 | J/mol×K | 383.12 | Joback Calculated Property |
| Cp,gas | 140.94 | J/mol×K | 416.41 | Joback Calculated Property |
| Cp,gas | 148.86 | J/mol×K | 449.69 | Joback Calculated Property |
| Cp,gas | 156.38 | J/mol×K | 482.97 | Joback Calculated Property |
| Cp,gas | 163.53 | J/mol×K | 516.26 | Joback Calculated Property |
| Cp,gas | 170.33 | J/mol×K | 549.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Hexen-4-yne, (Z)-.
Sources
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