- InChI
- InChI=1S/C9H6ClNO2/c10-5-11-8(12)6-3-1-2-4-7(6)9(11)13/h1-4H,5H2
- InChI Key
- JKGLRGGCGUQNEX-UHFFFAOYSA-N
- Formula
- C9H6ClNO2
- SMILES
- O=C1c2ccccc2C(=O)N1CCl
- Molecular Weight1
- 195.60
- CAS
- 17564-64-6
- Other Names
-
- 1H-Isoindole-1,3(2H)-dione, 2-(chloromethyl)-
- Chloromethylphthalimide
- N-Chloromethyltrimellitimide
- Phthalimide, N-(chloromethyl)-
- 4-Chloromethylphthalimide
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔsubH° : Enthalpy of sublimation 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 | 0.5621 | Relay (1.0) Calculated Property | |
| ΔfG° | -95.29 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -256.33 | kJ/mol | Relay (1.0) Calculated Property |
| ΔsubH° | [103.50; 103.60] | kJ/mol |
|
| ΔsubH° | 103.50 ± 1.10 | kJ/mol | NIST |
| ΔsubH° | 103.60 ± 0.90 | kJ/mol | NIST |
| ΔvapH° | 69.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.84 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.73 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.479 | Crippen Calculated Property | |
| McVol | 128.410 | ml/mol | McGowan Calculated Property |
| Pc | 3579.89 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 598.34 | K | Relay (1.0) Calculated Property |
| Tc | 874.95 | K | Relay (1.0) Calculated Property |
| Tfus | 426.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.470 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to N-(Chloromethyl)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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