- InChI
- InChI=1S/C7H10O3/c1-5(8)7(2)3-4-10-6(7)9/h3-4H2,1-2H3
- InChI Key
- VKDGCPFTXXDWQJ-UHFFFAOYSA-N
- Formula
- C7H10O3
- SMILES
- CC(=O)C1(C)CCOC1=O
- Molecular Weight1
- 142.15
- CAS
- 1123-19-9
- Other Names
-
- «alpha»-Acetyl-«alpha»-methyl-gammabutyrolactone
- «alpha»-acetyl-«alpha»-methyl-«gamma»-butyrolactone
- 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).
- 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 |
|---|---|---|---|
| ω | 0.3907 | Relay (1.0) Calculated Property | |
| ΔfG° | -298.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -511.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 10.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.97 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.529 | Crippen Calculated Property | |
| McVol | 107.640 | ml/mol | McGowan Calculated Property |
| Pc | 4026.13 | kPa | Joback Calculated Property |
| Tboil | 492.88 | K | Relay (1.0) Calculated Property |
| Tc | 709.93 | K | Relay (1.0) Calculated Property |
| Tfus | 321.59 | K | Relay (1.0) Calculated Property |
| Vc | 0.381 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [251.89; 320.03] | J/mol×K | [523.72; 757.30] | 
|
| Cp,gas | 251.89 | J/mol×K | 523.72 | Joback Calculated Property |
| Cp,gas | 264.96 | J/mol×K | 562.65 | Joback Calculated Property |
| Cp,gas | 277.22 | J/mol×K | 601.58 | Joback Calculated Property |
| Cp,gas | 288.75 | J/mol×K | 640.51 | Joback Calculated Property |
| Cp,gas | 299.66 | J/mol×K | 679.44 | Joback Calculated Property |
| Cp,gas | 310.06 | J/mol×K | 718.37 | Joback Calculated Property |
| Cp,gas | 320.03 | J/mol×K | 757.30 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 370.50 ± 2.50 | K | 0.70 | NIST |
Similar Compounds
Find more compounds similar to 2(3H)-Furanone, 3-acetyldihydro-3-methyl-.
Sources
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