- InChI
- InChI=1S/C6H8O2/c1-4-3-8-6(7)5(4)2/h3H2,1-2H3
- InChI Key
- QHQDWCHELGHSTO-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC1=C(C)C(=O)OC1
- Molecular Weight1
- 112.13
- CAS
- 1575-46-8
- Other Names
-
- 3,4-Dimethyl-2-butenolide
- 3,4-dimethyl-2(5H)-furanone
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3347 | Relay (1.0) Calculated Property | |
| ΔfG° | -154.11 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -289.77 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 12.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.880 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4167.71 | kPa | Joback Calculated Property |
| I | [1844.00; 1862.00] |
|
|
| I | 1860.00 | NIST | |
| I | 1861.00 | NIST | |
| I | 1862.00 | NIST | |
| I | 1844.00 | NIST | |
| Tboil | 468.08 | K | Relay (1.0) Calculated Property |
| Tc | 672.45 | K | Relay (1.0) Calculated Property |
| Tfus | 332.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.315 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [177.82; 234.39] | J/mol×K | [460.52; 682.96] |
|
| Cp,gas | 177.82 | J/mol×K | 460.52 | Joback Calculated Property |
| Cp,gas | 188.25 | J/mol×K | 497.59 | Joback Calculated Property |
| Cp,gas | 198.29 | J/mol×K | 534.67 | Joback Calculated Property |
| Cp,gas | 207.94 | J/mol×K | 571.74 | Joback Calculated Property |
| Cp,gas | 217.18 | J/mol×K | 608.81 | Joback Calculated Property |
| Cp,gas | 226.00 | J/mol×K | 645.89 | Joback Calculated Property |
| Cp,gas | 234.39 | J/mol×K | 682.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,3-Dimethyl-4-hydroxy-2-butenoic lactone.
Sources
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