- InChI
- InChI=1S/C15H15NO6/c1-3-21-14(19)11(15(20)22-4-2)16-12(17)9-7-5-6-8-10(9)13(16)18/h5-8,11H,3-4H2,1-2H3
- InChI Key
- SZNGBHWKVWEBKW-UHFFFAOYSA-N
- Formula
- C15H15NO6
- SMILES
-
CCOC(=O)C(C(=O)OCC)N1C(=O)c2cc
ccc2C1=O - Molecular Weight1
- 305.28
- CAS
- 5680-61-5
- Other Names
-
- Diethyl phthalimidomalonate
- Propanedioic acid, (1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, diethyl ester
- Ethyl phthalimidomalonate
- 2-Isoindolinemalonic acid, 1,3-dioxo-, diethyl ester
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 |
|---|---|---|---|
| ω | 0.7734 | Relay (1.0) Calculated Property | |
| ΔfG° | -554.95 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -920.43 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 94.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.07 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.777 | Crippen Calculated Property | |
| McVol | 215.590 | ml/mol | McGowan Calculated Property |
| Pc | 1852.69 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 639.21 | K | Relay (1.0) Calculated Property |
| Tc | 893.47 | K | Relay (1.0) Calculated Property |
| Tfus | 383.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.791 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Diethyl 2-phthalimidomalonate.
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
- McGowan Method
- NIST Webbook
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