- InChI
- InChI=1S/C4H6O2/c5-4-1-2-6-3-4/h1-3H2
- InChI Key
- JLPJFSCQKHRSQR-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- O=C1CCOC1
- Molecular Weight1
- 86.09
- Other Names
-
- Oxolan-3-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).
- 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 |
|---|---|---|---|
| ΔfG° | -181.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -314.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 33.82 | kJ/mol | Joback Calculated Property |
| log10WS | 0.24 | Crippen Calculated Property | |
| logPoct/wat | -0.024 | Crippen Calculated Property | |
| McVol | 63.800 | ml/mol | McGowan Calculated Property |
| Pc | 5382.80 | kPa | Joback Calculated Property |
| Inp | [694.00; 715.00] |
|
|
| Inp | 715.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 694.00 | NIST | |
| Inp | 715.00 | NIST | |
| Inp | 694.00 | NIST | |
| Tboil | 405.64 | K | Joback Calculated Property |
| Tc | 628.74 | K | Joback Calculated Property |
| Tfus | 244.77 | K | Joback Calculated Property |
| Vc | 0.230 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [116.24; 168.36] | J/mol×K | [405.64; 628.74] |
|
| Cp,gas | 116.24 | J/mol×K | 405.64 | Joback Calculated Property |
| Cp,gas | 125.93 | J/mol×K | 442.82 | Joback Calculated Property |
| Cp,gas | 135.22 | J/mol×K | 480.01 | Joback Calculated Property |
| Cp,gas | 144.12 | J/mol×K | 517.19 | Joback Calculated Property |
| Cp,gas | 152.61 | J/mol×K | 554.37 | Joback Calculated Property |
| Cp,gas | 160.69 | J/mol×K | 591.56 | Joback Calculated Property |
| Cp,gas | 168.36 | J/mol×K | 628.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3(2H)-Furanone, dihydro.
Sources
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