- InChI
- InChI=1S/C5H6O2/c1-4-5(6)2-3-7-4/h2-4H,1H3
- InChI Key
- FAYUQJQOHOTTKW-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- CC1OC=CC1=O
- Molecular Weight1
- 98.10
- 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).
- 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).
- Inp : Non-polar retention indices.
- 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° | -150.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -297.97 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 11.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 36.03 | kJ/mol | Joback Calculated Property |
| log10WS | -0.64 | Crippen Calculated Property | |
| logPoct/wat | 0.488 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Pc | 4717.12 | kPa | Joback Calculated Property |
| Inp | [814.00; 819.00] |
|
|
| Inp | 814.00 | NIST | |
| Inp | 819.00 | NIST | |
| I | [1388.00; 1407.00] |
|
|
| I | 1396.00 | NIST | |
| I | 1407.00 | NIST | |
| I | 1388.00 | NIST | |
| Tboil | 423.01 | K | Joback Calculated Property |
| Tc | 645.30 | K | Joback Calculated Property |
| Tfus | 252.56 | K | Joback Calculated Property |
| Vc | 0.271 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [140.46; 194.99] | J/mol×K | [423.01; 645.30] |
|
| Cp,gas | 140.46 | J/mol×K | 423.01 | Joback Calculated Property |
| Cp,gas | 150.58 | J/mol×K | 460.06 | Joback Calculated Property |
| Cp,gas | 160.30 | J/mol×K | 497.11 | Joback Calculated Property |
| Cp,gas | 169.61 | J/mol×K | 534.16 | Joback Calculated Property |
| Cp,gas | 178.50 | J/mol×K | 571.20 | Joback Calculated Property |
| Cp,gas | 186.96 | J/mol×K | 608.25 | Joback Calculated Property |
| Cp,gas | 194.99 | J/mol×K | 645.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methyl-3(2H)-furanone.
Sources
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