- InChI
- InChI=1S/C17H22F5NO/c1-2-3-4-5-6-7-8-9-10-23-17(24)11-12(18)14(20)16(22)15(21)13(11)19/h2-10H2,1H3,(H,23,24)
- InChI Key
- WYKJFCHNTXJVFF-UHFFFAOYSA-N
- Formula
- C17H22F5NO
- SMILES
-
CCCCCCCCCCNC(=O)c1c(F)c(F)c(F)
c(F)c1F - Molecular Weight1
- 351.36
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfusH° | 53.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.43 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.253 | Crippen Calculated Property | |
| McVol | 247.030 | ml/mol | McGowan Calculated Property |
| Inp | [2096.00; 2096.00] |
|
|
| Inp | 2096.00 | NIST | |
| Inp | 2096.00 | NIST | |
| Tboil | 587.21 | K | Relay (1.0) Calculated Property |
| Tfus | 336.42 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [379.71; 823.91] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.16290e+01 | |||
| Coefficient B | 1.34962e+00 | |||
| Coefficient C | -7.08900e-04 | |||
| Coefficient D | 1.21560e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 379.71 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 455.75 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 524.22 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 585.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 640.00 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 688.07 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 730.11 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 766.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 797.65 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 823.91 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, pentafluoro-N-decyl-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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