- InChI
- InChI=1S/C6H4/c1-3-5-6-4-2/h1-2,5-6H
- InChI Key
- KIWAUQFHKHLABA-UHFFFAOYSA-N
- Formula
- C6H4
- SMILES
- C#CC=CC#C
- Molecular Weight1
- 76.10
- CAS
- 6929-94-8
- 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 |
|---|---|---|---|
| ΔfG° | 526.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 533.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.62 | kJ/mol | Joback Calculated Property |
| IE | 9.60 ± 0.20 | eV | NIST |
| log10WS | -1.78 | Crippen Calculated Property | |
| logPoct/wat | 0.809 | Crippen Calculated Property | |
| McVol | 73.900 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | 321.08 | K | Joback Calculated Property |
| Tc | 520.62 | K | Joback Calculated Property |
| Tfus | 246.24 | K | Joback Calculated Property |
| Vc | 0.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [106.95; 140.03] | J/mol×K | [321.08; 520.62] | 
|
| Cp,gas | 106.95 | J/mol×K | 321.08 | Joback Calculated Property |
| Cp,gas | 113.60 | J/mol×K | 354.34 | Joback Calculated Property |
| Cp,gas | 119.75 | J/mol×K | 387.59 | Joback Calculated Property |
| Cp,gas | 125.44 | J/mol×K | 420.85 | Joback Calculated Property |
| Cp,gas | 130.70 | J/mol×K | 454.11 | Joback Calculated Property |
| Cp,gas | 135.55 | J/mol×K | 487.36 | Joback Calculated Property |
| Cp,gas | 140.03 | J/mol×K | 520.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hex-3-en-1,5-diyne.
Sources
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