- InChI
- InChI=1S/C15H20FNO3/c1-2-3-4-11-20-14(18)9-10-17-15(19)12-5-7-13(16)8-6-12/h5-8H,2-4,9-11H2,1H3,(H,17,19)
- InChI Key
- JWXHLLXWZOTIBW-UHFFFAOYSA-N
- Formula
- C15H20FNO3
- SMILES
- CCCCCOC(=O)CCNC(=O)c1ccc(F)cc1
- 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 | 0.8090 | Relay (1.0) Calculated Property | |
| ΔfG° | -290.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -770.23 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 40.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.60 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.03 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.679 | Crippen Calculated Property | |
| McVol | 219.210 | ml/mol | McGowan Calculated Property |
| Pc | 1949.23 | kPa | Joback Calculated Property |
| Inp | 2152.00 | NIST | |
| Tboil | 617.86 | K | Relay (1.0) Calculated Property |
| Tc | 822.88 | K | Relay (1.0) Calculated Property |
| Tfus | 322.29 | K | Relay (1.0) Calculated Property |
| Vc | 0.799 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [629.18; 699.74] | J/mol×K | [753.86; 952.88] | 
|
| Cp,gas | 629.18 | J/mol×K | 753.86 | Joback Calculated Property |
| Cp,gas | 643.12 | J/mol×K | 787.03 | Joback Calculated Property |
| Cp,gas | 656.15 | J/mol×K | 820.20 | Joback Calculated Property |
| Cp,gas | 668.31 | J/mol×K | 853.37 | Joback Calculated Property |
| Cp,gas | 679.60 | J/mol×K | 886.54 | Joback Calculated Property |
| Cp,gas | 690.07 | J/mol×K | 919.71 | Joback Calculated Property |
| Cp,gas | 699.74 | J/mol×K | 952.88 | Joback Calculated Property |
Similar Compounds
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Sources
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