- InChI
- InChI=1S/C17H22F3NO3/c1-2-3-4-5-6-11-24-14(22)9-10-21-17(23)12-7-8-13(18)16(20)15(12)19/h7-8H,2-6,9-11H2,1H3,(H,21,23)
- InChI Key
- CHDVTBPGAIZIEZ-UHFFFAOYSA-N
- Formula
- C17H22F3NO3
- SMILES
-
CCCCCCCOC(=O)CCNC(=O)c1ccc(F)c
(F)c1F - Molecular Weight1
- 345.36
- 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 | 0.9231 | Relay (1.0) Calculated Property | |
| ΔfG° | -682.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1119.17 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.38 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.47 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.737 | Crippen Calculated Property | |
| McVol | 250.930 | ml/mol | McGowan Calculated Property |
| Pc | 1505.81 | kPa | Joback Calculated Property |
| Inp | 2254.00 | NIST | |
| Tboil | 620.65 | K | Relay (1.0) Calculated Property |
| Tc | 823.64 | K | Relay (1.0) Calculated Property |
| Tfus | 328.55 | K | Relay (1.0) Calculated Property |
| Vc | 0.925 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [754.20; 823.04] | J/mol×K | [808.12; 998.84] | 
|
| Cp,gas | 754.20 | J/mol×K | 808.12 | Joback Calculated Property |
| Cp,gas | 767.82 | J/mol×K | 839.91 | Joback Calculated Property |
| Cp,gas | 780.56 | J/mol×K | 871.69 | Joback Calculated Property |
| Cp,gas | 792.43 | J/mol×K | 903.48 | Joback Calculated Property |
| Cp,gas | 803.46 | J/mol×K | 935.26 | Joback Calculated Property |
| Cp,gas | 813.65 | J/mol×K | 967.05 | Joback Calculated Property |
| Cp,gas | 823.04 | J/mol×K | 998.84 | Joback Calculated Property |
Similar Compounds
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Sources
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