- InChI
- InChI=1S/C19H26F3NO3/c1-2-3-4-5-6-7-8-13-26-16(24)11-12-23-19(25)14-9-10-15(20)18(22)17(14)21/h9-10H,2-8,11-13H2,1H3,(H,23,25)
- InChI Key
- IYBGMAGHYHCDSZ-UHFFFAOYSA-N
- Formula
- C19H26F3NO3
- SMILES
-
CCCCCCCCCOC(=O)CCNC(=O)c1ccc(F
)c(F)c1F - Molecular Weight1
- 373.41
- 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 | 0.9978 | Relay (1.0) Calculated Property | |
| ΔfG° | -665.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1156.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.62 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.12 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.518 | Crippen Calculated Property | |
| McVol | 279.110 | ml/mol | McGowan Calculated Property |
| Pc | 1304.23 | kPa | Joback Calculated Property |
| Inp | 2462.00 | NIST | |
| Tboil | 636.97 | K | Relay (1.0) Calculated Property |
| Tc | 841.41 | K | Relay (1.0) Calculated Property |
| Tfus | 334.27 | K | Relay (1.0) Calculated Property |
| Vc | 1.033 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [869.44; 941.38] | J/mol×K | [853.88; 1048.62] | 
|
| Cp,gas | 869.44 | J/mol×K | 853.88 | Joback Calculated Property |
| Cp,gas | 883.82 | J/mol×K | 886.34 | Joback Calculated Property |
| Cp,gas | 897.22 | J/mol×K | 918.79 | Joback Calculated Property |
| Cp,gas | 909.64 | J/mol×K | 951.25 | Joback Calculated Property |
| Cp,gas | 921.13 | J/mol×K | 983.71 | Joback Calculated Property |
| Cp,gas | 931.70 | J/mol×K | 1016.17 | Joback Calculated Property |
| Cp,gas | 941.38 | J/mol×K | 1048.62 | Joback Calculated Property |
Similar Compounds
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Sources
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