- InChI
- InChI=1S/C5H6O3/c1-7-4-2-3-8-5(4)6/h2H,3H2,1H3
- InChI Key
- LAPHJRDBCSBIPY-UHFFFAOYSA-N
- Formula
- C5H6O3
- SMILES
- COC1=CCOC1=O
- Molecular Weight1
- 114.10
- 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).
- 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 |
|---|---|---|---|
| ω | 0.4132 | Relay (1.0) Calculated Property | |
| ΔfG° | -257.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -380.31 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 11.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.073 | Crippen Calculated Property | |
| McVol | 79.460 | ml/mol | McGowan Calculated Property |
| Pc | 4723.61 | kPa | Joback Calculated Property |
| I | [2043.00; 2043.00] |
|
|
| I | 2043.00 | NIST | |
| I | 2043.00 | NIST | |
| Tboil | 487.08 | K | Relay (1.0) Calculated Property |
| Tc | 671.63 | K | Relay (1.0) Calculated Property |
| Tfus | 321.74 | K | Relay (1.0) Calculated Property |
| Vc | 0.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [159.87; 210.56] | J/mol×K | [455.08; 677.48] |
|
| Cp,gas | 159.87 | J/mol×K | 455.08 | Joback Calculated Property |
| Cp,gas | 169.10 | J/mol×K | 492.15 | Joback Calculated Property |
| Cp,gas | 178.06 | J/mol×K | 529.21 | Joback Calculated Property |
| Cp,gas | 186.70 | J/mol×K | 566.28 | Joback Calculated Property |
| Cp,gas | 195.02 | J/mol×K | 603.35 | Joback Calculated Property |
| Cp,gas | 202.98 | J/mol×K | 640.42 | Joback Calculated Property |
| Cp,gas | 210.56 | J/mol×K | 677.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-methoxy-2-buten-4-olide.
Sources
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