- InChI
- InChI=1S/C16H21F2NO3/c1-3-4-5-6-9-22-16(21)11(2)19-15(20)12-7-8-13(17)14(18)10-12/h7-8,10-11H,3-6,9H2,1-2H3,(H,19,20)
- InChI Key
- HGJAGVXQBDYUOI-UHFFFAOYSA-N
- Formula
- C16H21F2NO3
- SMILES
-
CCCCCCOC(=O)C(C)NC(=O)c1ccc(F)
c(F)c1 - Molecular Weight1
- 313.34
- 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 | 0.8119 | Relay (1.0) Calculated Property | |
| ΔfG° | -488.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -941.26 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 42.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.96 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.207 | Crippen Calculated Property | |
| McVol | 235.070 | ml/mol | McGowan Calculated Property |
| Pc | 1717.45 | kPa | Joback Calculated Property |
| Inp | 2136.00 | NIST | |
| Tboil | 594.83 | K | Relay (1.0) Calculated Property |
| Tc | 810.94 | K | Relay (1.0) Calculated Property |
| Tfus | 331.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.858 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [691.81; 761.85] | J/mol×K | [780.55; 976.25] | 
|
| Cp,gas | 691.81 | J/mol×K | 780.55 | Joback Calculated Property |
| Cp,gas | 705.69 | J/mol×K | 813.17 | Joback Calculated Property |
| Cp,gas | 718.66 | J/mol×K | 845.78 | Joback Calculated Property |
| Cp,gas | 730.73 | J/mol×K | 878.40 | Joback Calculated Property |
| Cp,gas | 741.94 | J/mol×K | 911.02 | Joback Calculated Property |
| Cp,gas | 752.31 | J/mol×K | 943.63 | Joback Calculated Property |
| Cp,gas | 761.85 | J/mol×K | 976.25 | Joback Calculated Property |
Similar Compounds
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Sources
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