- InChI
- InChI=1S/C27H43F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-33-27(32)25(21(2)3)30-26(31)23-18-17-22(28)20-24(23)29/h17-18,20-21,25H,4-16,19H2,1-3H3,(H,30,31)
- InChI Key
- QXSFKWLMXKSIGZ-UHFFFAOYSA-N
- Formula
- C27H43F2NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(NC(=O)c
1ccc(F)cc1F)C(C)C - Molecular Weight1
- 467.63
- 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 | 1.1757 | Relay (1.0) Calculated Property | |
| ΔfG° | -398.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1178.98 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 128.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.354 | Crippen Calculated Property | |
| McVol | 390.060 | ml/mol | McGowan Calculated Property |
| Pc | 834.83 | kPa | Joback Calculated Property |
| Inp | [3087.00; 3087.00] |
|
|
| Inp | 3087.00 | NIST | |
| Inp | 3087.00 | NIST | |
| Tboil | 670.30 | K | Relay (1.0) Calculated Property |
| Tc | 900.51 | K | Relay (1.0) Calculated Property |
| Tfus | 375.61 | K | Relay (1.0) Calculated Property |
| Vc | 1.433 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1351.68; 1434.07] | J/mol×K | [1031.79; 1270.65] |
|
| Cp,gas | 1351.68 | J/mol×K | 1031.79 | Joback Calculated Property |
| Cp,gas | 1369.32 | J/mol×K | 1071.60 | Joback Calculated Property |
| Cp,gas | 1385.28 | J/mol×K | 1111.41 | Joback Calculated Property |
| Cp,gas | 1399.64 | J/mol×K | 1151.22 | Joback Calculated Property |
| Cp,gas | 1412.50 | J/mol×K | 1191.03 | Joback Calculated Property |
| Cp,gas | 1423.95 | J/mol×K | 1230.84 | Joback Calculated Property |
| Cp,gas | 1434.07 | J/mol×K | 1270.65 | Joback Calculated Property |
Similar Compounds
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Sources
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