- InChI
- InChI=1S/C6H8O2/c1-4-3-6(7)5(2)8-4/h3,5H,1-2H3
- InChI Key
- ASOSVCXGWPDUGN-UHFFFAOYSA-N
- Formula
- C6H8O2
- SMILES
- CC1=CC(=O)C(C)O1
- Molecular Weight1
- 112.13
- CAS
- 14400-67-0
- Other Names
-
- 2H-Furan-3-one, 2,5-dimethyl
- 3(2H)-Furanone, 2,5-dimethyl-
- 2,5-dimethylfuran-3(2H)-one
- 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.
- 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° | -152.19 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -330.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.92 | kJ/mol | Joback Calculated Property |
| IE | 9.23 ± 0.05 | eV | NIST |
| log10WS | -1.06 | Crippen Calculated Property | |
| logPoct/wat | 0.878 | Crippen Calculated Property | |
| McVol | 87.680 | ml/mol | McGowan Calculated Property |
| Pc | 4072.51 | kPa | Joback Calculated Property |
| Inp | [913.00; 924.00] |
|
|
| Inp | 918.00 | NIST | |
| Inp | 924.00 | NIST | |
| Inp | 917.00 | NIST | |
| Inp | 913.00 | NIST | |
| I | [1483.00; 1540.00] |
|
|
| I | 1483.00 | NIST | |
| I | 1485.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1493.00 | NIST | |
| I | 1494.00 | NIST | |
| I | 1518.00 | NIST | |
| I | 1535.00 | NIST | |
| I | 1540.00 | NIST | |
| I | 1483.00 | NIST | |
| Tboil | 450.87 | K | Joback Calculated Property |
| Tc | 671.60 | K | Joback Calculated Property |
| Tfus | 276.35 | K | Joback Calculated Property |
| Vc | 0.327 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [178.89; 239.42] | J/mol×K | [450.87; 671.60] |
|
| Cp,gas | 178.89 | J/mol×K | 450.87 | Joback Calculated Property |
| Cp,gas | 190.07 | J/mol×K | 487.66 | Joback Calculated Property |
| Cp,gas | 200.83 | J/mol×K | 524.45 | Joback Calculated Property |
| Cp,gas | 211.16 | J/mol×K | 561.23 | Joback Calculated Property |
| Cp,gas | 221.04 | J/mol×K | 598.02 | Joback Calculated Property |
| Cp,gas | 230.47 | J/mol×K | 634.81 | Joback Calculated Property |
| Cp,gas | 239.42 | J/mol×K | 671.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-dimethyl-3(2H)-furanone.
Sources
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