- InChI
- InChI=1S/C6H5/c1-3-5-6-4-2/h1-2,5H,6H2
- InChI Key
- UMFJGJFSNKBCNL-UHFFFAOYSA-N
- Formula
- C6H5
- SMILES
- C#C[CH]CC#C
- Molecular Weight1
- 77.10
- CAS
- 116139-00-5
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 748.90 | kJ/mol | NIST |
| BasG | 716.40 | kJ/mol | NIST |
| ΔfG° | 495.72 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 467.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.13 | kJ/mol | Joback Calculated Property |
| log10WS | -1.53 | Crippen Calculated Property | |
| logPoct/wat | 0.847 | Crippen Calculated Property | |
| McVol | 76.050 | ml/mol | McGowan Calculated Property |
| Pc | 4782.59 | kPa | Joback Calculated Property |
| Tboil | 315.78 | K | Joback Calculated Property |
| Tc | 505.14 | K | Joback Calculated Property |
| Tfus | 252.69 | K | Joback Calculated Property |
| Vc | 0.281 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [115.31; 150.50] | J/mol×K | [315.78; 505.14] | 
|
| Cp,gas | 115.31 | J/mol×K | 315.78 | Joback Calculated Property |
| Cp,gas | 122.50 | J/mol×K | 347.34 | Joback Calculated Property |
| Cp,gas | 129.10 | J/mol×K | 378.90 | Joback Calculated Property |
| Cp,gas | 135.17 | J/mol×K | 410.46 | Joback Calculated Property |
| Cp,gas | 140.73 | J/mol×K | 442.02 | Joback Calculated Property |
| Cp,gas | 145.83 | J/mol×K | 473.58 | Joback Calculated Property |
| Cp,gas | 150.50 | J/mol×K | 505.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to HCCCH2CH()CCH.
Sources
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