- InChI
- InChI=1S/C11H11NO2/c1-2-11(9(13)12-10(11)14)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14)
- InChI Key
- DBNSSSWQTICKIC-UHFFFAOYSA-N
- Formula
- C11H11NO2
- SMILES
- CCC1(c2ccccc2)C(=O)NC1=O
- Molecular Weight1
- 189.21
- CAS
- 42282-82-6
- Other Names
-
- Malonimide, 2-ethyl-2-phenyl-
- 3-Ethyl-3-phenylazetidin-2,4-dione
- 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).
- 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° | 39.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -189.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 16.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.54 | kJ/mol | Joback Calculated Property |
| IE | 8.90 | eV | NIST |
| log10WS | -1.84 | Crippen Calculated Property | |
| logPoct/wat | 0.991 | Crippen Calculated Property | |
| McVol | 144.350 | ml/mol | McGowan Calculated Property |
| Pc | 3682.02 | kPa | Joback Calculated Property |
| Tboil | 673.20 | K | Joback Calculated Property |
| Tc | 942.49 | K | Joback Calculated Property |
| Tfus | 519.94 | K | Joback Calculated Property |
| Vc | 0.541 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [383.71; 470.07] | J/mol×K | [673.20; 942.49] | 
|
| Cp,gas | 383.71 | J/mol×K | 673.20 | Joback Calculated Property |
| Cp,gas | 399.83 | J/mol×K | 718.08 | Joback Calculated Property |
| Cp,gas | 415.08 | J/mol×K | 762.96 | Joback Calculated Property |
| Cp,gas | 429.59 | J/mol×K | 807.84 | Joback Calculated Property |
| Cp,gas | 443.50 | J/mol×K | 852.73 | Joback Calculated Property |
| Cp,gas | 456.94 | J/mol×K | 897.61 | Joback Calculated Property |
| Cp,gas | 470.07 | J/mol×K | 942.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,4-Azetidinedione, 3-ethyl-3-phenyl-.
Sources
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