- InChI
- InChI=1S/C19H28FNO3/c1-4-5-6-7-8-13-24-19(23)17(14(2)3)21-18(22)15-9-11-16(20)12-10-15/h9-12,14,17H,4-8,13H2,1-3H3,(H,21,22)
- InChI Key
- PUVNOTCJDGZBKK-UHFFFAOYSA-N
- Formula
- C19H28FNO3
- SMILES
-
CCCCCCCOC(=O)C(NC(=O)c1ccc(F)c
c1)C(C)C - Molecular Weight1
- 337.43
- 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 | 0.8575 | Relay (1.0) Calculated Property | |
| ΔfG° | -261.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -851.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.48 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.73 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.32 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.094 | Crippen Calculated Property | |
| McVol | 275.570 | ml/mol | McGowan Calculated Property |
| Pc | 1442.44 | kPa | Joback Calculated Property |
| Inp | [2342.00; 2342.00] |
|
|
| Inp | 2342.00 | NIST | |
| Inp | 2342.00 | NIST | |
| Tboil | 620.60 | K | Relay (1.0) Calculated Property |
| Tc | 843.11 | K | Relay (1.0) Calculated Property |
| Tfus | 357.27 | K | Relay (1.0) Calculated Property |
| Vc | 0.988 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [857.36; 934.03] | J/mol×K | [844.50; 1046.51] |
|
| Cp,gas | 857.36 | J/mol×K | 844.50 | Joback Calculated Property |
| Cp,gas | 872.75 | J/mol×K | 878.17 | Joback Calculated Property |
| Cp,gas | 887.04 | J/mol×K | 911.84 | Joback Calculated Property |
| Cp,gas | 900.28 | J/mol×K | 945.51 | Joback Calculated Property |
| Cp,gas | 912.50 | J/mol×K | 979.18 | Joback Calculated Property |
| Cp,gas | 923.74 | J/mol×K | 1012.84 | Joback Calculated Property |
| Cp,gas | 934.03 | J/mol×K | 1046.51 | Joback Calculated Property |
Similar Compounds
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Sources
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