- InChI
- InChI=1S/C29H47F2NO3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-29(34)27(23(2)3)32-28(33)25-20-19-24(30)22-26(25)31/h19-20,22-23,27H,4-18,21H2,1-3H3,(H,32,33)
- InChI Key
- VDIJYWDBWNSAKD-UHFFFAOYSA-N
- Formula
- C29H47F2NO3
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(NC(=O
)c1ccc(F)cc1F)C(C)C - Molecular Weight1
- 495.69
- 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 | 1.2478 | Relay (1.0) Calculated Property | |
| ΔfG° | -381.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1219.99 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 136.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 8.134 | Crippen Calculated Property | |
| McVol | 418.240 | ml/mol | McGowan Calculated Property |
| Pc | 749.38 | kPa | Joback Calculated Property |
| Inp | [3296.00; 3296.00] |
|
|
| Inp | 3296.00 | NIST | |
| Inp | 3296.00 | NIST | |
| Tboil | 684.05 | K | Relay (1.0) Calculated Property |
| Tc | 914.41 | K | Relay (1.0) Calculated Property |
| Tfus | 377.76 | K | Relay (1.0) Calculated Property |
| Vc | 1.541 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1478.17; 1563.03] | J/mol×K | [1077.55; 1337.98] |
|
| Cp,gas | 1478.17 | J/mol×K | 1077.55 | Joback Calculated Property |
| Cp,gas | 1496.84 | J/mol×K | 1120.95 | Joback Calculated Property |
| Cp,gas | 1513.53 | J/mol×K | 1164.36 | Joback Calculated Property |
| Cp,gas | 1528.36 | J/mol×K | 1207.76 | Joback Calculated Property |
| Cp,gas | 1541.48 | J/mol×K | 1251.17 | Joback Calculated Property |
| Cp,gas | 1552.99 | J/mol×K | 1294.57 | Joback Calculated Property |
| Cp,gas | 1563.03 | J/mol×K | 1337.98 | Joback Calculated Property |
Similar Compounds
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Sources
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