- InChI
- InChI=1S/C6H6/c1-3-5-6-4-2/h1,4-6H,2H2/b6-5+
- InChI Key
- OGWJYLKDZYZYBA-AATRIKPKSA-N
- Formula
- C6H6
- SMILES
- C#CC=CC=C
- Molecular Weight1
- 78.11
- CAS
- 5222-77-5
- 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° | 390.77 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 367.38 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.10 | kJ/mol | Joback Calculated Property |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 1.362 | Crippen Calculated Property | |
| McVol | 78.200 | ml/mol | McGowan Calculated Property |
| Pc | 4151.61 | kPa | Joback Calculated Property |
| Tboil | 327.64 | K | Joback Calculated Property |
| Tc | 516.95 | K | Joback Calculated Property |
| Tfus | 197.51 | K | Joback Calculated Property |
| Vc | 0.294 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.82; 153.64] | J/mol×K | [327.64; 516.95] | 
|
| Cp,gas | 112.82 | J/mol×K | 327.64 | Joback Calculated Property |
| Cp,gas | 120.78 | J/mol×K | 359.19 | Joback Calculated Property |
| Cp,gas | 128.24 | J/mol×K | 390.74 | Joback Calculated Property |
| Cp,gas | 135.23 | J/mol×K | 422.30 | Joback Calculated Property |
| Cp,gas | 141.78 | J/mol×K | 453.85 | Joback Calculated Property |
| Cp,gas | 147.90 | J/mol×K | 485.40 | Joback Calculated Property |
| Cp,gas | 153.64 | J/mol×K | 516.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-3,5-Hexadien-1-yne.
Sources
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