- InChI
- InChI=1S/C9H5F6NO/c10-8(11,12)5-1-4(7(16)17)2-6(3-5)9(13,14)15/h1-3H,(H2,16,17)
- InChI Key
- YNOPIKHMZIOWHS-UHFFFAOYSA-N
- Formula
- C9H5F6NO
- SMILES
-
NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)
F)c1 - Molecular Weight1
- 257.13
- CAS
- 22227-26-5
- Other Names
-
- 3,5-di(Trifluoromethyl)benzamide
- Benzamide, 3,5-bis(trifluoromethyl)-
- ω : Acentric Factor.
- 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).
- 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 | 0.6305 | Relay (1.0) Calculated Property | |
| ΔfG° | -1107.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1418.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.26 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.823 | Crippen Calculated Property | |
| McVol | 136.080 | ml/mol | McGowan Calculated Property |
| Pc | 2790.61 | kPa | Joback Calculated Property |
| Tboil | 497.24 | K | Relay (1.0) Calculated Property |
| Tc | 730.29 | K | Relay (1.0) Calculated Property |
| Tfus | 406.03 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [343.58; 393.14] | J/mol×K | [557.52; 750.93] | 
|
| Cp,gas | 343.58 | J/mol×K | 557.52 | Joback Calculated Property |
| Cp,gas | 353.68 | J/mol×K | 589.75 | Joback Calculated Property |
| Cp,gas | 362.97 | J/mol×K | 621.99 | Joback Calculated Property |
| Cp,gas | 371.51 | J/mol×K | 654.22 | Joback Calculated Property |
| Cp,gas | 379.36 | J/mol×K | 686.46 | Joback Calculated Property |
| Cp,gas | 386.55 | J/mol×K | 718.69 | Joback Calculated Property |
| Cp,gas | 393.14 | J/mol×K | 750.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3,5-Bis(trifluoromethyl)benzamide.
Sources
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