- InChI
- InChI=1S/C3H4O/c1-2-3-4/h4H,1H3
- InChI Key
- FWLKYEAOOIPJRL-UHFFFAOYSA-N
- Formula
- C3H4O
- SMILES
- CC#CO
- Molecular Weight1
- 56.06
- Other Names
-
- CH3CCOH
- ω : Acentric Factor.
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3548 | Relay (1.0) Calculated Property | |
| ΔfG° | 40.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -26.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.82 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.340 | Crippen Calculated Property | |
| McVol | 50.400 | ml/mol | McGowan Calculated Property |
| Pc | 6359.24 | kPa | Joback Calculated Property |
| Tboil | 378.53 | K | Relay (1.0) Calculated Property |
| Tc | 572.45 | K | Relay (1.0) Calculated Property |
| Tfus | 271.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.181 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [77.00; 97.48] | J/mol×K | [369.42; 555.96] | 
|
| Cp,gas | 77.00 | J/mol×K | 369.42 | Joback Calculated Property |
| Cp,gas | 80.70 | J/mol×K | 400.51 | Joback Calculated Property |
| Cp,gas | 84.29 | J/mol×K | 431.60 | Joback Calculated Property |
| Cp,gas | 87.75 | J/mol×K | 462.69 | Joback Calculated Property |
| Cp,gas | 91.11 | J/mol×K | 493.78 | Joback Calculated Property |
| Cp,gas | 94.35 | J/mol×K | 524.87 | Joback Calculated Property |
| Cp,gas | 97.48 | J/mol×K | 555.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1-Propynol.
Sources
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