- InChI
- InChI=1S/C5H6O/c1-3-5(6)4-2/h1H,4H2,2H3
- InChI Key
- GBCOTHPVQOTZKQ-UHFFFAOYSA-N
- Formula
- C5H6O
- SMILES
- C#CC(=O)CC
- Molecular Weight1
- 82.10
- CAS
- 16469-62-8
- Other Names
-
- 1-Pentyne-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° | 85.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 32.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.28 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.33 | kJ/mol | Joback Calculated Property |
| IE | 10.03 | eV | NIST |
| log10WS | -0.99 | Crippen Calculated Property | |
| logPoct/wat | 0.599 | Crippen Calculated Property | |
| McVol | 74.280 | ml/mol | McGowan Calculated Property |
| Pc | 4522.49 | kPa | Joback Calculated Property |
| Tboil | 357.79 | K | Joback Calculated Property |
| Tc | 549.33 | K | Joback Calculated Property |
| Tfus | 243.01 | K | Joback Calculated Property |
| Vc | 0.283 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [120.97; 157.08] | J/mol×K | [357.79; 549.33] | 
|
| Cp,gas | 120.97 | J/mol×K | 357.79 | Joback Calculated Property |
| Cp,gas | 127.75 | J/mol×K | 389.71 | Joback Calculated Property |
| Cp,gas | 134.22 | J/mol×K | 421.64 | Joback Calculated Property |
| Cp,gas | 140.37 | J/mol×K | 453.56 | Joback Calculated Property |
| Cp,gas | 146.22 | J/mol×K | 485.48 | Joback Calculated Property |
| Cp,gas | 151.79 | J/mol×K | 517.41 | Joback Calculated Property |
| Cp,gas | 157.08 | J/mol×K | 549.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Pent-1-yn-3-one.
Sources
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