![Benzenamine, N-[3-phenyl-4,5-bis[(trifluoromethyl)imino]-2-thiazolidinylidene]-](/cid/18-772-5/Benzenamine-N-3-phenyl-4-5-bis-trifluoromethyl-imino-2-thiazolidinylidene.png "Benzenamine, N-[3-phenyl-4,5-bis[(trifluoromethyl)imino]-2-thiazolidinylidene]-")
- InChI
- InChI=1S/C17H10F6N4S/c18-16(19,20)25-13-14(26-17(21,22)23)28-15(24-11-7-3-1-4-8-11)27(13)12-9-5-2-6-10-12/h1-10H
- InChI Key
- IZFZCMFMJKDHJZ-UHFFFAOYSA-N
- Formula
- C17H10F6N4S
- SMILES
-
FC(F)(F)N=C1SC(=Nc2ccccc2)N(c2
ccccc2)C1=NC(F)(F)F - Molecular Weight1
- 416.34
- CAS
- 37893-02-0
- Other Names
-
- BAY SLJ 0312
- Cropotex
- Flubenzimine
- N-(3-Phenyl-4,5-bis((trifluoromethyl)imino)-2-thiazolidinylidene)benzenamine
- SLJ 0312
- Flubenzimin
- N-[3-phenyl-4,5-bis[(trifluoromethyl)imino]thiazolidin-2-ylidene]aniline
- 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 | 0.6430 | Relay (1.0) Calculated Property | |
| ΔfG° | -541.69 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -829.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 96.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.764 | Crippen Calculated Property | |
| McVol | 246.000 | ml/mol | McGowan Calculated Property |
| Pc | 1565.33 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 618.35 | K | Relay (1.0) Calculated Property |
| Tc | 877.43 | K | Relay (1.0) Calculated Property |
| Tfus | 368.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.870 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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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