- InChI
- InChI=1S/C9H6F3NO3/c10-9(11,12)8(16)13-6-4-2-1-3-5(6)7(14)15/h1-4H,(H,13,16)(H,14,15)
- InChI Key
- LAZKSSYOKYWMRN-UHFFFAOYSA-N
- Formula
- C9H6F3NO3
- SMILES
- O=C(O)c1ccccc1NC(=O)C(F)(F)F
- Molecular Weight1
- 233.14
- CAS
- 19165-29-8
- 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).
- 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 |
|---|---|---|---|
| ω | 0.7393 | Relay (1.0) Calculated Property | |
| ΔfG° | -759.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1088.34 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.886 | Crippen Calculated Property | |
| McVol | 138.210 | ml/mol | McGowan Calculated Property |
| Pc | 3668.65 | kPa | Joback Calculated Property |
| Inp | [1548.00; 1548.00] |
|
|
| Inp | 1548.00 | NIST | |
| Inp | 1548.00 | NIST | |
| Tboil | 544.35 | K | Relay (1.0) Calculated Property |
| Tc | 768.93 | K | Relay (1.0) Calculated Property |
| Tfus | 439.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.476 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [363.15; 402.33] | J/mol×K | [681.65; 878.18] |
|
| Cp,gas | 363.15 | J/mol×K | 681.65 | Joback Calculated Property |
| Cp,gas | 371.11 | J/mol×K | 714.41 | Joback Calculated Property |
| Cp,gas | 378.45 | J/mol×K | 747.16 | Joback Calculated Property |
| Cp,gas | 385.19 | J/mol×K | 779.92 | Joback Calculated Property |
| Cp,gas | 391.40 | J/mol×K | 812.67 | Joback Calculated Property |
| Cp,gas | 397.10 | J/mol×K | 845.43 | Joback Calculated Property |
| Cp,gas | 402.33 | J/mol×K | 878.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzoic acid, 2-(trifluoroacetylamino)-.
Sources
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