- InChI
- InChI=1S/C5H7NO3/c1-3(7)9-5-2-4(8)6-5/h5H,2H2,1H3,(H,6,8)
- InChI Key
- OEYMQQDJCUHKQS-UHFFFAOYSA-N
- Formula
- C5H7NO3
- SMILES
- CC(=O)OC1CC(O)=N1
- Molecular Weight1
- 129.11
- CAS
- 28562-53-0
- Other Names
-
- 2-Azetidinone, 4-(acetyloxy)-
- 2-oxoazetidinium 4-acetate
- 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).
- 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° | -193.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -359.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 59.81 | kJ/mol | Joback Calculated Property |
| log10WS | -0.26 | Crippen Calculated Property | |
| logPoct/wat | 0.236 | Crippen Calculated Property | |
| McVol | 89.440 | ml/mol | McGowan Calculated Property |
| Pc | 5228.24 | kPa | Joback Calculated Property |
| Tboil | 354.20 | K | NIST |
| Tc | 754.88 | K | Joback Calculated Property |
| Tfus | 378.33 | K | Joback Calculated Property |
| Vc | 0.343 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [221.21; 269.83] | J/mol×K | [551.12; 754.88] | 
|
| Cp,gas | 221.21 | J/mol×K | 551.12 | Joback Calculated Property |
| Cp,gas | 230.48 | J/mol×K | 585.08 | Joback Calculated Property |
| Cp,gas | 239.28 | J/mol×K | 619.04 | Joback Calculated Property |
| Cp,gas | 247.63 | J/mol×K | 653.00 | Joback Calculated Property |
| Cp,gas | 255.50 | J/mol×K | 686.96 | Joback Calculated Property |
| Cp,gas | 262.90 | J/mol×K | 720.92 | Joback Calculated Property |
| Cp,gas | 269.83 | J/mol×K | 754.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Acetoxy-2-azetidinone.
Sources
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