- InChI
- InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-
- InChI Key
- ACWQBUSCFPJUPN-HYXAFXHYSA-N
- Formula
- C5H8O
- SMILES
- CC=C(C)C=O
- Molecular Weight1
- 84.12
- CAS
- 6038-09-1
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 843.90 | kJ/mol | NIST |
| BasG | 812.10 | kJ/mol | NIST |
| ΔfG° | -36.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -124.68 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.48 | kJ/mol | Joback Calculated Property |
| IE | 9.59 | eV | NIST |
| log10WS | -1.05 | Crippen Calculated Property | |
| logPoct/wat | 1.151 | Crippen Calculated Property | |
| McVol | 78.580 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Tboil | 366.50 | K | Joback Calculated Property |
| Tc | 552.54 | K | Joback Calculated Property |
| Tfus | 169.07 | K | Joback Calculated Property |
| Vc | 0.314 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [130.05; 173.52] | J/mol×K | [366.50; 552.54] | 
|
| Cp,gas | 130.05 | J/mol×K | 366.50 | Joback Calculated Property |
| Cp,gas | 138.26 | J/mol×K | 397.51 | Joback Calculated Property |
| Cp,gas | 146.07 | J/mol×K | 428.51 | Joback Calculated Property |
| Cp,gas | 153.48 | J/mol×K | 459.52 | Joback Calculated Property |
| Cp,gas | 160.51 | J/mol×K | 490.53 | Joback Calculated Property |
| Cp,gas | 167.19 | J/mol×K | 521.53 | Joback Calculated Property |
| Cp,gas | 173.52 | J/mol×K | 552.54 | Joback Calculated Property |
Similar Compounds
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Sources
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