- InChI
- InChI=1S/C25H38F3NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-32-22(30)17-18-29-25(31)20-15-16-21(26)24(28)23(20)27/h15-16H,2-14,17-19H2,1H3,(H,29,31)
- InChI Key
- DFRQZCCRJJDREW-UHFFFAOYSA-N
- Formula
- C25H38F3NO3
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)CCNC(=O)c
1ccc(F)c(F)c1F - Molecular Weight1
- 457.57
- 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 | 1.2158 | Relay (1.0) Calculated Property | |
| ΔfG° | -614.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1272.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 72.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 129.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.38 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.77 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.858 | Crippen Calculated Property | |
| McVol | 363.650 | ml/mol | McGowan Calculated Property |
| Pc | 893.73 | kPa | Joback Calculated Property |
| Inp | 3255.00 | NIST | |
| Tboil | 680.60 | K | Relay (1.0) Calculated Property |
| Tc | 887.44 | K | Relay (1.0) Calculated Property |
| Tfus | 348.87 | K | Relay (1.0) Calculated Property |
| Vc | 1.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1232.01; 1312.35] | J/mol×K | [991.16; 1219.42] | 
|
| Cp,gas | 1232.01 | J/mol×K | 991.16 | Joback Calculated Property |
| Cp,gas | 1248.99 | J/mol×K | 1029.20 | Joback Calculated Property |
| Cp,gas | 1264.44 | J/mol×K | 1067.25 | Joback Calculated Property |
| Cp,gas | 1278.44 | J/mol×K | 1105.29 | Joback Calculated Property |
| Cp,gas | 1291.05 | J/mol×K | 1143.33 | Joback Calculated Property |
| Cp,gas | 1302.33 | J/mol×K | 1181.38 | Joback Calculated Property |
| Cp,gas | 1312.35 | J/mol×K | 1219.42 | Joback Calculated Property |
Similar Compounds
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Sources
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