- InChI
- InChI=1S/C5H6O/c1-3-4-5(2)6/h1-2H3
- InChI Key
- DZOOXMGZVWHNAS-UHFFFAOYSA-N
- Formula
- C5H6O
- SMILES
- CC#CC(C)=O
- Molecular Weight1
- 82.10
- CAS
- 7299-55-0
- Other Names
-
- 3-Pentyn-2-one
- Pent-3-yn-2-one
- 3-Pentyne-2-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° | 65.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 13.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.62 | kJ/mol | Joback Calculated Property |
| IE | 9.76 | eV | NIST |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 0.599 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
| Pc | 4596.38 | kPa | Joback Calculated Property |
| Tboil | 376.67 | K | Joback Calculated Property |
| Tc | 582.35 | K | Joback Calculated Property |
| Tfus | 302.14 | K | Joback Calculated Property |
| Vc | 0.283 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.14; 155.59] | J/mol×K | [376.67; 582.35] | 
|
| Cp,gas | 118.14 | J/mol×K | 376.67 | Joback Calculated Property |
| Cp,gas | 125.04 | J/mol×K | 410.95 | Joback Calculated Property |
| Cp,gas | 131.67 | J/mol×K | 445.23 | Joback Calculated Property |
| Cp,gas | 138.04 | J/mol×K | 479.51 | Joback Calculated Property |
| Cp,gas | 144.14 | J/mol×K | 513.79 | Joback Calculated Property |
| Cp,gas | 149.99 | J/mol×K | 548.07 | Joback Calculated Property |
| Cp,gas | 155.59 | J/mol×K | 582.35 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Pentyn-4-one.
Sources
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