- InChI
- InChI=1S/C4H6O2/c5-4-2-1-3-6-4/h1-3H2
- InChI Key
- YEJRWHAVMIAJKC-UHFFFAOYSA-N
- Formula
- C4H6O2
- SMILES
- O=C1CCCO1
- Molecular Weight1
- 86.09
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -354.16 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.75 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.15 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.323 | Crippen Calculated Property | |
| McVol | 63.800 | ml/mol | McGowan Calculated Property |
| Pc | 4862.97 | kPa | Joback Calculated Property |
| Inp | 922.00 | NIST | |
| Tboil | 477.17 | K | Relay (1.0) Calculated Property |
| Tc | 702.53 | K | Relay (1.0) Calculated Property |
| Tfus | 247.88 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [80.97; 206.88] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -3.15200e+01 | |||
| Coefficient B | 5.06400e-01 | |||
| Coefficient C | -3.74800e-04 | |||
| Coefficient D | 1.06800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 80.97 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 105.45 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 126.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 144.53 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 159.79 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 172.65 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 183.46 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 192.54 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 200.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 206.88 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0023575; 0.0003306] | Pa×s | [199.35; 386.56] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.01066e+01 | |||
| Coefficient B | 8.08650e+02 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 199.35 | |||
| Temperature range, max. | 386.56 | |||
| η | 0.0023575 | Pa×s | 199.35 | Calculated Property |
| η | 0.0016069 | Pa×s | 220.15 | Calculated Property |
| η | 0.0011702 | Pa×s | 240.95 | Calculated Property |
| η | 0.0008963 | Pa×s | 261.75 | Calculated Property |
| η | 0.0007140 | Pa×s | 282.55 | Calculated Property |
| η | 0.0005868 | Pa×s | 303.35 | Calculated Property |
| η | 0.0004945 | Pa×s | 324.15 | Calculated Property |
| η | 0.0004254 | Pa×s | 344.96 | Calculated Property |
| η | 0.0003723 | Pa×s | 365.76 | Calculated Property |
| η | 0.0003306 | Pa×s | 386.56 | Calculated Property |
Similar Compounds
Find more compounds similar to Oxolan-2-one.
Sources
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