- InChI
- InChI=1S/C11H12F3NO/c1-2-6-15-10(16)8-4-3-5-9(7-8)11(12,13)14/h3-5,7H,2,6H2,1H3,(H,15,16)
- InChI Key
- OPQNVKBIBGFOCD-UHFFFAOYSA-N
- Formula
- C11H12F3NO
- SMILES
- CCCNC(=O)c1cccc(C(F)(F)F)c1
- Molecular Weight1
- 231.21
- 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 | 0.5769 | Relay (1.0) Calculated Property | |
| ΔfG° | -476.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -807.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.42 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.89 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.53 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.38 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.845 | Crippen Calculated Property | |
| McVol | 158.950 | ml/mol | McGowan Calculated Property |
| Pc | 2505.01 | kPa | Joback Calculated Property |
| Inp | [1526.00; 1526.00] |
|
|
| Inp | 1526.00 | NIST | |
| Inp | 1526.00 | NIST | |
| Tboil | 527.74 | K | Relay (1.0) Calculated Property |
| Tc | 737.63 | K | Relay (1.0) Calculated Property |
| Tfus | 324.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.575 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [398.71; 465.29] | J/mol×K | [581.36; 776.89] |
|
| Cp,gas | 398.71 | J/mol×K | 581.36 | Joback Calculated Property |
| Cp,gas | 411.80 | J/mol×K | 613.95 | Joback Calculated Property |
| Cp,gas | 424.03 | J/mol×K | 646.54 | Joback Calculated Property |
| Cp,gas | 435.45 | J/mol×K | 679.12 | Joback Calculated Property |
| Cp,gas | 446.10 | J/mol×K | 711.71 | Joback Calculated Property |
| Cp,gas | 456.03 | J/mol×K | 744.30 | Joback Calculated Property |
| Cp,gas | 465.29 | J/mol×K | 776.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-(trifluoromethyl)-N-propyl-.
Sources
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