- InChI
- InChI=1S/C15H20FNO3/c1-3-4-7-10-20-14(18)11-17(2)15(19)12-8-5-6-9-13(12)16/h5-6,8-9H,3-4,7,10-11H2,1-2H3
- InChI Key
- LFVKCWOALRPFQZ-UHFFFAOYSA-N
- Formula
- C15H20FNO3
- SMILES
- CCCCCOC(=O)CN(C)C(=O)c1ccccc1F
- Molecular Weight1
- 281.32
- 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 | 0.7584 | Relay (1.0) Calculated Property | |
| ΔfG° | -268.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -717.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.07 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.48 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.631 | Crippen Calculated Property | |
| McVol | 219.210 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | 2059.00 | NIST | |
| Tboil | 597.99 | K | Relay (1.0) Calculated Property |
| Tc | 800.82 | K | Relay (1.0) Calculated Property |
| Tfus | 297.65 | K | Relay (1.0) Calculated Property |
| Vc | 0.810 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [613.95; 688.92] | J/mol×K | [716.13; 911.96] | 
|
| Cp,gas | 613.95 | J/mol×K | 716.13 | Joback Calculated Property |
| Cp,gas | 628.62 | J/mol×K | 748.77 | Joback Calculated Property |
| Cp,gas | 642.38 | J/mol×K | 781.41 | Joback Calculated Property |
| Cp,gas | 655.27 | J/mol×K | 814.05 | Joback Calculated Property |
| Cp,gas | 667.30 | J/mol×K | 846.68 | Joback Calculated Property |
| Cp,gas | 678.50 | J/mol×K | 879.32 | Joback Calculated Property |
| Cp,gas | 688.92 | J/mol×K | 911.96 | Joback Calculated Property |
Similar Compounds
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Sources
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