- InChI
- InChI=1S/C28H29F10NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-39(27(40)15-17(29)21(33)25(37)22(34)18(15)30)28(41)16-19(31)23(35)26(38)24(36)20(16)32/h2-14H2,1H3
- InChI Key
- PYEMXIOCVWQGRC-UHFFFAOYSA-N
- Formula
- C28H29F10NO2
- SMILES
-
CCCCCCCCCCCCCCN(C(=O)c1c(F)c(F
)c(F)c(F)c1F)C(=O)c1c(F)c(F)c( F)c(F)c1F - Molecular Weight1
- 601.52
- 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° | -1781.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -2381.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 89.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.46 | kJ/mol | Joback Calculated Property |
| log10WS | -12.34 | Crippen Calculated Property | |
| logPoct/wat | 9.061 | Crippen Calculated Property | |
| McVol | 388.680 | ml/mol | McGowan Calculated Property |
| Pc | 722.63 | kPa | Joback Calculated Property |
| Inp | 2632.00 | NIST | |
| Tboil | 1056.08 | K | Joback Calculated Property |
| Tc | 1330.98 | K | Joback Calculated Property |
| Tfus | 721.59 | K | Joback Calculated Property |
| Vc | 1.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1305.87; 1375.61] | J/mol×K | [1056.08; 1330.98] | 
|
| Cp,gas | 1305.87 | J/mol×K | 1056.08 | Joback Calculated Property |
| Cp,gas | 1322.06 | J/mol×K | 1101.90 | Joback Calculated Property |
| Cp,gas | 1336.27 | J/mol×K | 1147.71 | Joback Calculated Property |
| Cp,gas | 1348.62 | J/mol×K | 1193.53 | Joback Calculated Property |
| Cp,gas | 1359.21 | J/mol×K | 1239.35 | Joback Calculated Property |
| Cp,gas | 1368.17 | J/mol×K | 1285.17 | Joback Calculated Property |
| Cp,gas | 1375.61 | J/mol×K | 1330.98 | Joback Calculated Property |
Similar Compounds
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Sources
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