- InChI
- InChI=1S/C14H8F5NO/c1-6-3-2-4-7(5-6)20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3,(H,20,21)
- InChI Key
- MYHFRQGGHKYKJB-UHFFFAOYSA-N
- Formula
- C14H8F5NO
- SMILES
-
Cc1cccc(NC(=O)c2c(F)c(F)c(F)c(
F)c2F)c1 - Molecular Weight1
- 301.21
- 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 | 0.6846 | Relay (1.0) Calculated Property | |
| ΔfG° | -779.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -796.22 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.32 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.47 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.943 | Crippen Calculated Property | |
| McVol | 181.000 | ml/mol | McGowan Calculated Property |
| Pc | 2185.64 | kPa | Joback Calculated Property |
| Inp | [1801.00; 1801.00] |
|
|
| Inp | 1801.00 | NIST | |
| Inp | 1801.00 | NIST | |
| Tboil | 590.14 | K | Relay (1.0) Calculated Property |
| Tc | 857.70 | K | Relay (1.0) Calculated Property |
| Tfus | 393.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.661 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [474.06; 529.39] | J/mol×K | [703.35; 904.60] |
|
| Cp,gas | 474.06 | J/mol×K | 703.35 | Joback Calculated Property |
| Cp,gas | 485.01 | J/mol×K | 736.89 | Joback Calculated Property |
| Cp,gas | 495.24 | J/mol×K | 770.43 | Joback Calculated Property |
| Cp,gas | 504.78 | J/mol×K | 803.98 | Joback Calculated Property |
| Cp,gas | 513.63 | J/mol×K | 837.52 | Joback Calculated Property |
| Cp,gas | 521.83 | J/mol×K | 871.06 | Joback Calculated Property |
| Cp,gas | 529.39 | J/mol×K | 904.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, N-(3-methylphenyl)-2,3,4,5,6-pentafluoro-.
Sources
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