- InChI
- InChI=1S/C26H41F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-32-26(31)24(20(2)3)29-25(30)22-17-16-21(27)19-23(22)28/h16-17,19-20,24H,4-15,18H2,1-3H3,(H,29,30)
- InChI Key
- IZNDGMBMIKAKOH-UHFFFAOYSA-N
- Formula
- C26H41F2NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)C(NC(=O)c1
ccc(F)cc1F)C(C)C - Molecular Weight1
- 453.61
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -406.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1073.07 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.00 | kJ/mol | Joback Calculated Property |
| log10WS | -8.75 | Crippen Calculated Property | |
| logPoct/wat | 6.964 | Crippen Calculated Property | |
| McVol | 375.970 | ml/mol | McGowan Calculated Property |
| Pc | 883.14 | kPa | Joback Calculated Property |
| Inp | [2978.00; 2978.00] |
|
|
| Inp | 2978.00 | NIST | |
| Inp | 2978.00 | NIST | |
| Tboil | 1008.91 | K | Joback Calculated Property |
| Tc | 1239.03 | K | Joback Calculated Property |
| Tfus | 580.17 | K | Joback Calculated Property |
| Vc | 1.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1288.96; 1370.21] | J/mol×K | [1008.91; 1239.03] |
|
| Cp,gas | 1288.96 | J/mol×K | 1008.91 | Joback Calculated Property |
| Cp,gas | 1306.15 | J/mol×K | 1047.26 | Joback Calculated Property |
| Cp,gas | 1321.79 | J/mol×K | 1085.62 | Joback Calculated Property |
| Cp,gas | 1335.93 | J/mol×K | 1123.97 | Joback Calculated Property |
| Cp,gas | 1348.67 | J/mol×K | 1162.32 | Joback Calculated Property |
| Cp,gas | 1360.07 | J/mol×K | 1200.67 | Joback Calculated Property |
| Cp,gas | 1370.21 | J/mol×K | 1239.03 | Joback Calculated Property |
Similar Compounds
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Sources
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