- InChI
- InChI=1S/C21H31F2NO3/c1-3-4-5-6-7-8-9-10-11-14-27-21(26)16(2)24-20(25)18-15-17(22)12-13-19(18)23/h12-13,15-16H,3-11,14H2,1-2H3,(H,24,25)
- InChI Key
- OALHLZSGTLYMGK-UHFFFAOYSA-N
- Formula
- C21H31F2NO3
- SMILES
-
CCCCCCCCCCCOC(=O)C(C)NC(=O)c1c
c(F)ccc1F - Molecular Weight1
- 383.47
- 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 | 1.0032 | Relay (1.0) Calculated Property | |
| ΔfG° | -446.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1041.20 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 55.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.92 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.157 | Crippen Calculated Property | |
| McVol | 305.520 | ml/mol | McGowan Calculated Property |
| Pc | 1194.82 | kPa | Joback Calculated Property |
| Inp | 2599.00 | NIST | |
| Tboil | 634.26 | K | Relay (1.0) Calculated Property |
| Tc | 863.76 | K | Relay (1.0) Calculated Property |
| Tfus | 355.37 | K | Relay (1.0) Calculated Property |
| Vc | 1.133 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [981.88; 1058.23] | J/mol×K | [894.95; 1097.50] | 
|
| Cp,gas | 981.88 | J/mol×K | 894.95 | Joback Calculated Property |
| Cp,gas | 997.32 | J/mol×K | 928.71 | Joback Calculated Property |
| Cp,gas | 1011.62 | J/mol×K | 962.47 | Joback Calculated Property |
| Cp,gas | 1024.83 | J/mol×K | 996.22 | Joback Calculated Property |
| Cp,gas | 1036.97 | J/mol×K | 1029.98 | Joback Calculated Property |
| Cp,gas | 1048.09 | J/mol×K | 1063.74 | Joback Calculated Property |
| Cp,gas | 1058.23 | J/mol×K | 1097.50 | Joback Calculated Property |
Similar Compounds
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Sources
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