- InChI
- InChI=1S/C5H8O2/c1-3-5(7)4(2)6/h3,5,7H,1H2,2H3
- InChI Key
- ZFTHRGXKSJKKCF-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- C=CC(O)C(C)=O
- Molecular Weight1
- 100.12
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- I : Polar retention indices.
- 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° | -189.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -291.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 9.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 49.09 | kJ/mol | Joback Calculated Property |
| log10WS | -0.42 | Crippen Calculated Property | |
| logPoct/wat | 0.122 | Crippen Calculated Property | |
| McVol | 84.450 | ml/mol | McGowan Calculated Property |
| Pc | 4486.22 | kPa | Joback Calculated Property |
| I | [1381.00; 1381.00] |
|
|
| I | 1381.00 | NIST | |
| I | 1381.00 | NIST | |
| Tboil | 456.09 | K | Joback Calculated Property |
| Tc | 635.98 | K | Joback Calculated Property |
| Tfus | 240.10 | K | Joback Calculated Property |
| Vc | 0.316 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.78; 206.98] | J/mol×K | [456.09; 635.98] |
|
| Cp,gas | 167.78 | J/mol×K | 456.09 | Joback Calculated Property |
| Cp,gas | 175.13 | J/mol×K | 486.07 | Joback Calculated Property |
| Cp,gas | 182.14 | J/mol×K | 516.05 | Joback Calculated Property |
| Cp,gas | 188.82 | J/mol×K | 546.04 | Joback Calculated Property |
| Cp,gas | 195.18 | J/mol×K | 576.02 | Joback Calculated Property |
| Cp,gas | 201.23 | J/mol×K | 606.00 | Joback Calculated Property |
| Cp,gas | 206.98 | J/mol×K | 635.98 | Joback Calculated Property |
| η | [0.0002358; 0.0503690] | Pa×s | [240.10; 456.09] |
|
| η | 0.0503690 | Pa×s | 240.10 | Joback Calculated Property |
| η | 0.0115017 | Pa×s | 276.10 | Joback Calculated Property |
| η | 0.0036926 | Pa×s | 312.10 | Joback Calculated Property |
| η | 0.0014995 | Pa×s | 348.10 | Joback Calculated Property |
| η | 0.0007210 | Pa×s | 384.09 | Joback Calculated Property |
| η | 0.0003930 | Pa×s | 420.09 | Joback Calculated Property |
| η | 0.0002358 | Pa×s | 456.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-hydroxy-pent-1-en-4-one.
Sources
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