- InChI
- InChI=1S/C24H34F5NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-33-17(31)16-30(2)24(32)18-19(25)21(27)23(29)22(28)20(18)26/h3-16H2,1-2H3
- InChI Key
- KQLCDKGIVFWUJI-UHFFFAOYSA-N
- Formula
- C24H34F5NO3
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CN(C)C(=O)
c1c(F)c(F)c(F)c(F)c1F - Molecular Weight1
- 479.52
- 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 | 1.1733 | Relay (1.0) Calculated Property | |
| ΔfG° | -1010.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1473.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.10 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.698 | Crippen Calculated Property | |
| McVol | 353.100 | ml/mol | McGowan Calculated Property |
| Pc | 873.25 | kPa | Joback Calculated Property |
| Inp | 2768.00 | NIST | |
| Tboil | 655.06 | K | Relay (1.0) Calculated Property |
| Tc | 846.58 | K | Relay (1.0) Calculated Property |
| Tfus | 338.50 | K | Relay (1.0) Calculated Property |
| Vc | 1.334 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1165.71; 1247.99] | J/mol×K | [939.05; 1154.97] | 
|
| Cp,gas | 1165.71 | J/mol×K | 939.05 | Joback Calculated Property |
| Cp,gas | 1182.72 | J/mol×K | 975.04 | Joback Calculated Property |
| Cp,gas | 1198.35 | J/mol×K | 1011.02 | Joback Calculated Property |
| Cp,gas | 1212.64 | J/mol×K | 1047.01 | Joback Calculated Property |
| Cp,gas | 1225.65 | J/mol×K | 1083.00 | Joback Calculated Property |
| Cp,gas | 1237.42 | J/mol×K | 1118.99 | Joback Calculated Property |
| Cp,gas | 1247.99 | J/mol×K | 1154.97 | Joback Calculated Property |
Similar Compounds
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Sources
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