- InChI
- InChI=1S/C16H18F5NO3/c1-8(2)5-4-6-25-9(23)7-22(3)16(24)10-11(17)13(19)15(21)14(20)12(10)18/h8H,4-7H2,1-3H3
- InChI Key
- HSNLVAVTBKBYHA-UHFFFAOYSA-N
- Formula
- C16H18F5NO3
- SMILES
-
CC(C)CCCOC(=O)CN(C)C(=O)c1c(F)
c(F)c(F)c(F)c1F - Molecular Weight1
- 367.31
- 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 | 0.8358 | Relay (1.0) Calculated Property | |
| ΔfG° | -1080.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1335.54 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.23 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.70 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.434 | Crippen Calculated Property | |
| McVol | 240.380 | ml/mol | McGowan Calculated Property |
| Pc | 1470.23 | kPa | Joback Calculated Property |
| Inp | 1930.00 | NIST | |
| Tboil | 584.66 | K | Relay (1.0) Calculated Property |
| Tc | 773.94 | K | Relay (1.0) Calculated Property |
| Tfus | 320.26 | K | Relay (1.0) Calculated Property |
| Vc | 0.889 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [697.00; 763.93] | J/mol×K | [755.57; 935.85] | 
|
| Cp,gas | 697.00 | J/mol×K | 755.57 | Joback Calculated Property |
| Cp,gas | 710.02 | J/mol×K | 785.62 | Joback Calculated Property |
| Cp,gas | 722.28 | J/mol×K | 815.66 | Joback Calculated Property |
| Cp,gas | 733.79 | J/mol×K | 845.71 | Joback Calculated Property |
| Cp,gas | 744.56 | J/mol×K | 875.76 | Joback Calculated Property |
| Cp,gas | 754.60 | J/mol×K | 905.81 | Joback Calculated Property |
| Cp,gas | 763.93 | J/mol×K | 935.85 | Joback Calculated Property |
Similar Compounds
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Sources
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