- 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
- CAS
- 1679-47-6
- Other Names
-
- «alpha»-Methyl-«gamma»-butyrolactone
- «alpha»-Methylbutyrolactone
- 2-Methyl-«gamma»-butyrolactone
- 2-Methyl-4-butanolide
- 2-Methylbutanolide
- 4-Hydroxy-2-methylbutanoic acid lactone
- 4-Hydroxy-2-methylbutyric acid lactone
- 3-Methyldihydro-2(3H)-furanone
- 3-Methyldihydrofuran-2(3H)-one
- Dihydro-3-methyl-2(3H)-furanone
- 3-methyl-tetrahydro-2-furanon
- 3-Methyl-dihydrofuranone
- alpha-methyl-«gamma»-butyrolactone
- 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).
- Tboilr : Boiling point at reduced pressure (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° | -180.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -355.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 10.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 35.74 | kJ/mol | Joback Calculated Property |
| log10WS | -0.43 | Crippen 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 | [941.00; 957.40] |
|
|
| Inp | 957.40 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 941.00 | NIST | |
| Inp | 948.00 | NIST | |
| Inp | 948.00 | NIST | |
| I | [1555.00; 1625.00] |
|
|
| I | 1582.00 | NIST | |
| I | 1587.00 | NIST | |
| I | 1625.00 | NIST | |
| I | 1625.00 | NIST | |
| I | 1555.00 | NIST | |
| I | 1557.00 | NIST | |
| I | 1582.00 | NIST | |
| I | 1625.00 | NIST | |
| Tboil | 423.85 | K | Joback Calculated Property |
| Tc | 643.76 | K | Joback Calculated Property |
| Tfus | 251.80 | K | Joback Calculated Property |
| Vc | 0.284 | m3/kmol | Joback 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 |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 352.70 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, dihydro-3-methyl-.
Sources
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