- InChI
- InChI=1S/C5H6O2/c1-4-2-3-5(6)7-4/h1-3H2
- InChI Key
- SIFBVNDLLGPEKT-UHFFFAOYSA-N
- Formula
- C5H6O2
- SMILES
- C=C1CCC(=O)O1
- Molecular Weight1
- 98.10
- 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).
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -271.51 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 0.837 | Crippen Calculated Property | |
| McVol | 73.590 | ml/mol | McGowan Calculated Property |
| Ip | [1533.00; 1533.00] |
|
|
| Ip | 1533.00 | NIST | |
| Ip | 1533.00 | NIST | |
| Tboil | 459.23 | K | Relay (1.0) Calculated Property |
| Tfus | 282.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, 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 | [98.69; 226.56] | 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 | -1.01400e+01 | |||
| Coefficient B | 4.83900e-01 | |||
| Coefficient C | -3.36800e-04 | |||
| Coefficient D | 8.96000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 98.69 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 122.87 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 143.89 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 162.05 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 177.62 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 190.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 202.12 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 211.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 219.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 226.56 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0015655; 0.0003559] | Pa×s | [224.30; 402.55] |
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 | -9.80500e+00 | |||
| Coefficient B | 7.50390e+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. | 224.30 | |||
| Temperature range, max. | 402.55 | |||
| η | 0.0015655 | Pa×s | 224.30 | Calculated Property |
| η | 0.0011934 | Pa×s | 244.11 | Calculated Property |
| η | 0.0009475 | Pa×s | 263.91 | Calculated Property |
| η | 0.0007769 | Pa×s | 283.72 | Calculated Property |
| η | 0.0006538 | Pa×s | 303.52 | Calculated Property |
| η | 0.0005619 | Pa×s | 323.33 | Calculated Property |
| η | 0.0004915 | Pa×s | 343.13 | Calculated Property |
| η | 0.0004362 | Pa×s | 362.94 | Calculated Property |
| η | 0.0003919 | Pa×s | 382.74 | Calculated Property |
| η | 0.0003559 | Pa×s | 402.55 | Calculated Property |
Similar Compounds
Find more compounds similar to «gamma»-methylen-«gamma»-butyrolactone.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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