- InChI
- InChI=1S/C16H18F5NO3/c1-3-4-5-6-7-25-9(23)8-22(2)16(24)10-11(17)13(19)15(21)14(20)12(10)18/h3-8H2,1-2H3
- InChI Key
- CSRIUXJUHKNQST-UHFFFAOYSA-N
- Formula
- C16H18F5NO3
- SMILES
-
CCCCCCOC(=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 | 0.8740 | Relay (1.0) Calculated Property | |
| ΔfG° | -1078.01 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1319.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.03 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.578 | Crippen Calculated Property | |
| McVol | 240.380 | ml/mol | McGowan Calculated Property |
| Pc | 1461.25 | kPa | Joback Calculated Property |
| Inp | 1966.00 | NIST | |
| Tboil | 585.47 | K | Relay (1.0) Calculated Property |
| Tc | 774.89 | K | Relay (1.0) Calculated Property |
| Tfus | 315.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.901 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [696.44; 762.97] | J/mol×K | [756.01; 934.82] | 
|
| Cp,gas | 696.44 | J/mol×K | 756.01 | Joback Calculated Property |
| Cp,gas | 709.35 | J/mol×K | 785.81 | Joback Calculated Property |
| Cp,gas | 721.51 | J/mol×K | 815.61 | Joback Calculated Property |
| Cp,gas | 732.94 | J/mol×K | 845.41 | Joback Calculated Property |
| Cp,gas | 743.66 | J/mol×K | 875.22 | Joback Calculated Property |
| Cp,gas | 753.66 | J/mol×K | 905.02 | Joback Calculated Property |
| Cp,gas | 762.97 | J/mol×K | 934.82 | Joback Calculated Property |
Similar Compounds
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Sources
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