- InChI
- InChI=1S/C10H6N2O2/c11-5-6-12-9(13)7-3-1-2-4-8(7)10(12)14/h1-4H,6H2
- InChI Key
- KJTIDLYAIIARFO-UHFFFAOYSA-N
- Formula
- C10H6N2O2
- SMILES
- N#CCN1C(=O)c2ccccc2C1=O
- Molecular Weight1
- 186.17
- CAS
- 3842-20-4
- 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 | 0.6187 | Relay (1.0) Calculated Property | |
| ΔfG° | 59.86 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -39.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 82.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.65 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.806 | Crippen Calculated Property | |
| McVol | 131.640 | ml/mol | McGowan Calculated Property |
| Pc | 3153.39 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 610.95 | K | Relay (1.0) Calculated Property |
| Tc | 902.99 | K | Relay (1.0) Calculated Property |
| Tfus | 447.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.487 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-cyanomethyl phthalimide.
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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