- InChI
- InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
- InChI Key
- PMDYLCUKSLBUHO-UHFFFAOYSA-N
- Formula
- C8H5F3N2
- SMILES
- N#Cc1ccc(N)cc1C(F)(F)F
- Molecular Weight1
- 186.13
- CAS
- 654-70-6
- Other Names
-
- 5-Aminno-2-cyanobenzotrifluoride
- Benzonitrile, 4-amino-2-(trifluoromethyl)-
- 4-ciano-3-trifluormetil-anilin
- 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).
- 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° | -272.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -393.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.37 | kJ/mol | Joback Calculated Property |
| log10WS | -2.56 | Crippen Calculated Property | |
| logPoct/wat | 2.159 | Crippen Calculated Property | |
| McVol | 116.490 | ml/mol | McGowan Calculated Property |
| Pc | 3195.54 | kPa | Joback Calculated Property |
| Tboil | 588.27 | K | Joback Calculated Property |
| Tc | 810.13 | K | Joback Calculated Property |
| Tfus | 383.82 | K | Joback Calculated Property |
| Vc | 0.473 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.02; 319.71] | J/mol×K | [588.27; 810.13] | 
|
| Cp,gas | 277.02 | J/mol×K | 588.27 | Joback Calculated Property |
| Cp,gas | 285.72 | J/mol×K | 625.25 | Joback Calculated Property |
| Cp,gas | 293.73 | J/mol×K | 662.22 | Joback Calculated Property |
| Cp,gas | 301.08 | J/mol×K | 699.20 | Joback Calculated Property |
| Cp,gas | 307.83 | J/mol×K | 736.17 | Joback Calculated Property |
| Cp,gas | 314.02 | J/mol×K | 773.15 | Joback Calculated Property |
| Cp,gas | 319.71 | J/mol×K | 810.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Amino-2-cyanobenzotrifluoride.
Sources
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