- InChI
- InChI=1S/C23H35F2NO3/c1-3-4-5-6-7-8-9-10-11-12-13-16-29-23(28)18(2)26-22(27)19-14-15-20(24)21(25)17-19/h14-15,17-18H,3-13,16H2,1-2H3,(H,26,27)
- InChI Key
- FWZNGIUBXXESCX-UHFFFAOYSA-N
- Formula
- C23H35F2NO3
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(C)NC(=O)c
1ccc(F)c(F)c1 - Molecular Weight1
- 411.53
- 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 | 1.0792 | Relay (1.0) Calculated Property | |
| ΔfG° | -429.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1080.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 60.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.937 | Crippen Calculated Property | |
| McVol | 333.700 | ml/mol | McGowan Calculated Property |
| Pc | 1050.73 | kPa | Joback Calculated Property |
| Inp | 2865.00 | NIST | |
| Tboil | 648.51 | K | Relay (1.0) Calculated Property |
| Tc | 870.91 | K | Relay (1.0) Calculated Property |
| Tfus | 346.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.239 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1102.98; 1181.58] | J/mol×K | [940.71; 1151.69] | 
|
| Cp,gas | 1102.98 | J/mol×K | 940.71 | Joback Calculated Property |
| Cp,gas | 1119.10 | J/mol×K | 975.87 | Joback Calculated Property |
| Cp,gas | 1133.95 | J/mol×K | 1011.04 | Joback Calculated Property |
| Cp,gas | 1147.57 | J/mol×K | 1046.20 | Joback Calculated Property |
| Cp,gas | 1160.02 | J/mol×K | 1081.37 | Joback Calculated Property |
| Cp,gas | 1171.34 | J/mol×K | 1116.53 | Joback Calculated Property |
| Cp,gas | 1181.58 | J/mol×K | 1151.69 | Joback Calculated Property |
Similar Compounds
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Sources
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