- InChI
- InChI=1S/C14H16F5NO/c1-3-4-5-6-7(2)20-14(21)8-9(15)11(17)13(19)12(18)10(8)16/h7H,3-6H2,1-2H3,(H,20,21)
- InChI Key
- DHRASMRLUZLFSE-UHFFFAOYSA-N
- Formula
- C14H16F5NO
- SMILES
-
CCCCCC(C)NC(=O)c1c(F)c(F)c(F)c
(F)c1F - Molecular Weight1
- 309.27
- 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 | 0.7328 | Relay (1.0) Calculated Property | |
| ΔfG° | -884.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1018.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.69 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.39 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.21 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.081 | Crippen Calculated Property | |
| McVol | 204.760 | ml/mol | McGowan Calculated Property |
| Pc | 1670.06 | kPa | Joback Calculated Property |
| Inp | [1689.00; 1689.00] |
|
|
| Inp | 1689.00 | NIST | |
| Inp | 1689.00 | NIST | |
| Tboil | 538.80 | K | Relay (1.0) Calculated Property |
| Tc | 751.76 | K | Relay (1.0) Calculated Property |
| Tfus | 327.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.755 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [559.77; 627.25] | J/mol×K | [671.25; 846.21] |
|
| Cp,gas | 559.77 | J/mol×K | 671.25 | Joback Calculated Property |
| Cp,gas | 572.54 | J/mol×K | 700.41 | Joback Calculated Property |
| Cp,gas | 584.69 | J/mol×K | 729.57 | Joback Calculated Property |
| Cp,gas | 596.22 | J/mol×K | 758.73 | Joback Calculated Property |
| Cp,gas | 607.15 | J/mol×K | 787.89 | Joback Calculated Property |
| Cp,gas | 617.49 | J/mol×K | 817.05 | Joback Calculated Property |
| Cp,gas | 627.25 | J/mol×K | 846.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, pentafluoro-N-(hept-2-yl)-.
Sources
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