- InChI
- InChI=1S/C27H33F4NO2/c1-4-5-6-7-8-9-10-11-12-17-32(26(33)22-20(28)15-13-18(2)24(22)30)27(34)23-21(29)16-14-19(3)25(23)31/h13-16H,4-12,17H2,1-3H3
- InChI Key
- ANMKITBTGBMSNA-UHFFFAOYSA-N
- Formula
- C27H33F4NO2
- SMILES
-
CCCCCCCCCCCN(C(=O)c1c(F)ccc(C)
c1F)C(=O)c1c(F)ccc(C)c1F - Molecular Weight1
- 479.55
- 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 | 1.1437 | Relay (... Calculated Property | |
| ΔfG° | -582.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1044.87 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 69.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 120.73 | kJ/mol | Relay (... Calculated Property |
| IE | 8.62 | eV | Relay (... Calculated Property |
| log10WS | -8.67 | Relay (... Calculated Property | |
| logPoct/wat | 7.673 | Crippen Calculated Property | |
| McVol | 363.970 | ml/mol | McGowan Calculated Property |
| Pc | 921.62 | kPa | Joback Calculated Property |
| Inp | 3019.00 | NIST | |
| Tboil | 700.37 | K | Relay (... Calculated Property |
| Tc | 959.99 | K | Relay (... Calculated Property |
| Tfus | 350.51 | K | Relay (... Calculated Property |
| Vc | 1.361 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1208.92; 1283.73] | J/mol×K | [1017.66; 1247.60] | 
|
| Cp,gas | 1208.92 | J/mol×K | 1017.66 | Joback Calculated Property |
| Cp,gas | 1224.35 | J/mol×K | 1055.98 | Joback Calculated Property |
| Cp,gas | 1238.49 | J/mol×K | 1094.31 | Joback Calculated Property |
| Cp,gas | 1251.41 | J/mol×K | 1132.63 | Joback Calculated Property |
| Cp,gas | 1263.20 | J/mol×K | 1170.95 | Joback Calculated Property |
| Cp,gas | 1273.95 | J/mol×K | 1209.27 | Joback Calculated Property |
| Cp,gas | 1283.73 | J/mol×K | 1247.60 | Joback Calculated Property |
Similar Compounds
Sources
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