- InChI
- InChI=1S/C17H13F4NO2/c1-2-7-22(16(23)10-3-5-12(18)14(20)8-10)17(24)11-4-6-13(19)15(21)9-11/h3-6,8-9H,2,7H2,1H3
- InChI Key
- BRGNFFVAPHYPHT-UHFFFAOYSA-N
- Formula
- C17H13F4NO2
- SMILES
-
CCCN(C(=O)c1ccc(F)c(F)c1)C(=O)
c1ccc(F)c(F)c1 - Molecular Weight1
- 339.28
- 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 | 0.7722 | Relay (1.0) Calculated Property | |
| ΔfG° | -647.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -869.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.99 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.936 | Crippen Calculated Property | |
| McVol | 223.070 | ml/mol | McGowan Calculated Property |
| Pc | 1883.80 | kPa | Joback Calculated Property |
| Inp | [1902.00; 1902.00] |
|
|
| Inp | 1902.00 | NIST | |
| Inp | 1902.00 | NIST | |
| Tboil | 627.55 | K | Relay (1.0) Calculated Property |
| Tc | 861.56 | K | Relay (1.0) Calculated Property |
| Tfus | 334.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.818 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [627.31; 687.89] | J/mol×K | [778.90; 983.77] |
|
| Cp,gas | 627.31 | J/mol×K | 778.90 | Joback Calculated Property |
| Cp,gas | 639.52 | J/mol×K | 813.05 | Joback Calculated Property |
| Cp,gas | 650.82 | J/mol×K | 847.19 | Joback Calculated Property |
| Cp,gas | 661.26 | J/mol×K | 881.34 | Joback Calculated Property |
| Cp,gas | 670.89 | J/mol×K | 915.48 | Joback Calculated Property |
| Cp,gas | 679.75 | J/mol×K | 949.63 | Joback Calculated Property |
| Cp,gas | 687.89 | J/mol×K | 983.77 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3,4-difluoro-N-(3,4-difluorobenzoyl)-N-propyl-.
Sources
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