- InChI
- InChI=1S/C6H8O/c1-3-5-6(7)4-2/h4H2,1-2H3
- InChI Key
- BIWUZTZFFUMZIG-UHFFFAOYSA-N
- Formula
- C6H8O
- SMILES
- CC#CC(=O)CC
- Molecular Weight1
- 96.13
- CAS
- 10575-41-4
- Other Names
-
- 4-Hexyne-3-one
- 4-Hexyn-3-one
- 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° | 73.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -7.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.85 | kJ/mol | Joback Calculated Property |
| IE | 9.62 | eV | NIST |
| log10WS | -1.41 | Crippen Calculated Property | |
| logPoct/wat | 0.989 | Crippen Calculated Property | |
| McVol | 88.370 | ml/mol | McGowan Calculated Property |
| Pc | 4051.80 | kPa | Joback Calculated Property |
| Tboil | 399.55 | K | Joback Calculated Property |
| Tc | 603.51 | K | Joback Calculated Property |
| Tfus | 313.41 | K | Joback Calculated Property |
| Vc | 0.340 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [151.90; 198.15] | J/mol×K | [399.55; 603.51] | 
|
| Cp,gas | 151.90 | J/mol×K | 399.55 | Joback Calculated Property |
| Cp,gas | 160.46 | J/mol×K | 433.54 | Joback Calculated Property |
| Cp,gas | 168.68 | J/mol×K | 467.54 | Joback Calculated Property |
| Cp,gas | 176.55 | J/mol×K | 501.53 | Joback Calculated Property |
| Cp,gas | 184.07 | J/mol×K | 535.52 | Joback Calculated Property |
| Cp,gas | 191.27 | J/mol×K | 569.52 | Joback Calculated Property |
| Cp,gas | 198.15 | J/mol×K | 603.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Hex-4-yn-3-one.
Sources
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