- InChI
- InChI=1S/C5H8O2/c1-4-2-3-7-5(4)6/h4H,2-3H2,1H3
- InChI Key
- QGLBZNZGBLRJGS-UHFFFAOYSA-N
- Formula
- C5H8O2
- SMILES
- CC1CCOC1=O
- Molecular Weight1
- 100.12
- 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).
- 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.
- 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 | 0.3426 | Relay (1.0) Calculated Property | |
| ΔfG° | -180.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -374.14 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.33 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.569 | Crippen Calculated Property | |
| McVol | 77.890 | ml/mol | McGowan Calculated Property |
| Pc | 4492.23 | kPa | Joback Calculated Property |
| Inp | 806.00 | NIST | |
| Tboil | 458.89 | K | Relay (1.0) Calculated Property |
| Tc | 644.35 | K | Relay (1.0) Calculated Property |
| Tfus | 253.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.282 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.05; 216.54] | J/mol×K | [423.85; 643.76] | 
|
| Cp,gas | 154.05 | J/mol×K | 423.85 | Joback Calculated Property |
| Cp,gas | 165.60 | J/mol×K | 460.50 | Joback Calculated Property |
| Cp,gas | 176.71 | J/mol×K | 497.15 | Joback Calculated Property |
| Cp,gas | 187.37 | J/mol×K | 533.80 | Joback Calculated Property |
| Cp,gas | 197.57 | J/mol×K | 570.45 | Joback Calculated Property |
| Cp,gas | 207.30 | J/mol×K | 607.10 | Joback Calculated Property |
| Cp,gas | 216.54 | J/mol×K | 643.76 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Methyltetrahydrofuranone.
Sources
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