- InChI
- InChI=1S/C15H10F4INO/c1-8-2-5-13(12(20)6-8)21-14(22)10-4-3-9(16)7-11(10)15(17,18)19/h2-7H,1H3,(H,21,22)
- InChI Key
- CCRFZLDVGAGABJ-UHFFFAOYSA-N
- Formula
- C15H10F4INO
- SMILES
-
Cc1ccc(NC(=O)c2ccc(F)cc2C(F)(F
)F)c(I)c1 - Molecular Weight1
- 423.14
- 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).
- Inp : Non-polar retention indices.
- 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° | -496.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.17 | kJ/mol | Joback Calculated Property |
| log10WS | -6.51 | Crippen Calculated Property | |
| logPoct/wat | 5.010 | Crippen Calculated Property | |
| McVol | 219.140 | ml/mol | McGowan Calculated Property |
| Pc | 2137.41 | kPa | Joback Calculated Property |
| Inp | 2368.00 | NIST | |
| Tboil | 806.91 | K | Joback Calculated Property |
| Tc | 1043.14 | K | Joback Calculated Property |
| Tfus | 527.16 | K | Joback Calculated Property |
| Vc | 0.850 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [564.65; 616.53] | J/mol×K | [806.91; 1043.14] | 
|
| Cp,gas | 564.65 | J/mol×K | 806.91 | Joback Calculated Property |
| Cp,gas | 575.23 | J/mol×K | 846.28 | Joback Calculated Property |
| Cp,gas | 584.91 | J/mol×K | 885.65 | Joback Calculated Property |
| Cp,gas | 593.79 | J/mol×K | 925.02 | Joback Calculated Property |
| Cp,gas | 601.96 | J/mol×K | 964.39 | Joback Calculated Property |
| Cp,gas | 609.51 | J/mol×K | 1003.77 | Joback Calculated Property |
| Cp,gas | 616.53 | J/mol×K | 1043.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-2-trifluoromethylbenzamide, N-(2-iodo-4-methylphenyl)-.
Sources
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