- InChI
- InChI=1S/C24H37F2NO3/c1-4-5-6-7-8-9-10-11-12-13-16-30-24(29)22(18(2)3)27-23(28)19-14-15-20(25)21(26)17-19/h14-15,17-18,22H,4-13,16H2,1-3H3,(H,27,28)
- InChI Key
- HEKNLBFYDAZCLW-UHFFFAOYSA-N
- Formula
- C24H37F2NO3
- SMILES
-
CCCCCCCCCCCCOC(=O)C(NC(=O)c1cc
c(F)c(F)c1)C(C)C - Molecular Weight1
- 425.55
- 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 | 1.0687 | Relay (1.0) Calculated Property | |
| ΔfG° | -423.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1107.04 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.97 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.11 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.183 | Crippen Calculated Property | |
| McVol | 347.790 | ml/mol | McGowan Calculated Property |
| Pc | 993.25 | kPa | Joback Calculated Property |
| Inp | [2808.00; 2808.00] |
|
|
| Inp | 2808.00 | NIST | |
| Inp | 2808.00 | NIST | |
| Tboil | 649.38 | K | Relay (1.0) Calculated Property |
| Tc | 875.41 | K | Relay (1.0) Calculated Property |
| Tfus | 355.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.269 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1164.78; 1243.93] | J/mol×K | [963.15; 1179.39] |
|
| Cp,gas | 1164.78 | J/mol×K | 963.15 | Joback Calculated Property |
| Cp,gas | 1181.20 | J/mol×K | 999.19 | Joback Calculated Property |
| Cp,gas | 1196.25 | J/mol×K | 1035.23 | Joback Calculated Property |
| Cp,gas | 1210.00 | J/mol×K | 1071.27 | Joback Calculated Property |
| Cp,gas | 1222.49 | J/mol×K | 1107.31 | Joback Calculated Property |
| Cp,gas | 1233.78 | J/mol×K | 1143.35 | Joback Calculated Property |
| Cp,gas | 1243.93 | J/mol×K | 1179.39 | Joback Calculated Property |
Similar Compounds
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Sources
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