- InChI
- InChI=1S/C16H22FNO3/c1-3-4-5-6-10-21-15(19)12-18(2)16(20)13-8-7-9-14(17)11-13/h7-9,11H,3-6,10,12H2,1-2H3
- InChI Key
- FMPYAHUESVIVFQ-UHFFFAOYSA-N
- Formula
- C16H22FNO3
- SMILES
-
CCCCCCOC(=O)CN(C)C(=O)c1cccc(F
)c1 - Molecular Weight1
- 295.35
- 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 | 0.8017 | Relay (1.0) Calculated Property | |
| ΔfG° | -260.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -735.00 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.021 | Crippen Calculated Property | |
| McVol | 233.300 | ml/mol | McGowan Calculated Property |
| Pc | 1771.36 | kPa | Joback Calculated Property |
| Inp | 2157.00 | NIST | |
| Tboil | 612.85 | K | Relay (1.0) Calculated Property |
| Tc | 809.61 | K | Relay (1.0) Calculated Property |
| Tfus | 290.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.864 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [668.72; 745.43] | J/mol×K | [739.01; 933.54] | 
|
| Cp,gas | 668.72 | J/mol×K | 739.01 | Joback Calculated Property |
| Cp,gas | 683.74 | J/mol×K | 771.43 | Joback Calculated Property |
| Cp,gas | 697.82 | J/mol×K | 803.85 | Joback Calculated Property |
| Cp,gas | 711.00 | J/mol×K | 836.28 | Joback Calculated Property |
| Cp,gas | 723.31 | J/mol×K | 868.70 | Joback Calculated Property |
| Cp,gas | 734.77 | J/mol×K | 901.12 | Joback Calculated Property |
| Cp,gas | 745.43 | J/mol×K | 933.54 | Joback Calculated Property |
Similar Compounds
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Sources
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