- InChI
- InChI=1S/C3H2O/c1-2-3-4/h1,3H
- InChI Key
- IJNJLGFTSIAHEA-UHFFFAOYSA-N
- Formula
- C3H2O
- SMILES
- C#CC=O
- Molecular Weight1
- 54.05
- CAS
- 624-67-9
- Other Names
-
- Propyn-3-al
- Propiolaldehye
- Propargylaldehyde
- Propioaldehyde
- Propynal
- Propiolaldehyde
- 2-Propyn-1-one
- Formylacetylene
- Acetylenecarboxaldehyde
- 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° | 97.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 101.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 8.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 28.85 | kJ/mol | Joback Calculated Property |
| IE | [10.62; 10.80] | eV |
|
| IE | 10.62 ± 0.15 | eV | NIST |
| IE | 10.80 | eV | NIST |
| IE | 10.70 | eV | NIST |
| log10WS | -0.15 | Crippen Calculated Property | |
| logPoct/wat | -0.182 | Crippen Calculated Property | |
| McVol | 46.100 | ml/mol | McGowan Calculated Property |
| Pc | 6065.55 | kPa | Joback Calculated Property |
| Tboil | 333.20 | K | NIST |
| Tc | 492.26 | K | Joback Calculated Property |
| Tfus | 212.54 | K | Joback Calculated Property |
| Vc | 0.182 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [66.41; 82.50] | J/mol×K | [306.82; 492.26] |
|
| Cp,gas | 66.41 | J/mol×K | 306.82 | Joback Calculated Property |
| Cp,gas | 69.48 | J/mol×K | 337.73 | Joback Calculated Property |
| Cp,gas | 72.39 | J/mol×K | 368.63 | Joback Calculated Property |
| Cp,gas | 75.14 | J/mol×K | 399.54 | Joback Calculated Property |
| Cp,gas | 77.73 | J/mol×K | 430.44 | Joback Calculated Property |
| Cp,gas | 80.18 | J/mol×K | 461.35 | Joback Calculated Property |
| Cp,gas | 82.50 | J/mol×K | 492.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Propynal.
Sources
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