- InChI
- InChI=1S/C14H17F2NO3/c1-3-4-8-20-12(18)9-17(2)14(19)13-10(15)6-5-7-11(13)16/h5-7H,3-4,8-9H2,1-2H3
- InChI Key
- KKKLIMVPEHCITK-UHFFFAOYSA-N
- Formula
- C14H17F2NO3
- SMILES
-
CCCCOC(=O)CN(C)C(=O)c1c(F)cccc
1F - Molecular Weight1
- 285.29
- 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 | 0.7386 | Relay (1.0) Calculated Property | |
| ΔfG° | -481.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -844.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 38.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.86 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.54 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.380 | Crippen Calculated Property | |
| McVol | 206.890 | ml/mol | McGowan Calculated Property |
| Pc | 1985.89 | kPa | Joback Calculated Property |
| Inp | 2003.00 | NIST | |
| Tboil | 581.93 | K | Relay (1.0) Calculated Property |
| Tc | 784.18 | K | Relay (1.0) Calculated Property |
| Tfus | 304.75 | K | Relay (1.0) Calculated Property |
| Vc | 0.768 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [567.44; 637.18] | J/mol×K | [697.50; 888.92] | 
|
| Cp,gas | 567.44 | J/mol×K | 697.50 | Joback Calculated Property |
| Cp,gas | 581.02 | J/mol×K | 729.40 | Joback Calculated Property |
| Cp,gas | 593.79 | J/mol×K | 761.31 | Joback Calculated Property |
| Cp,gas | 605.77 | J/mol×K | 793.21 | Joback Calculated Property |
| Cp,gas | 616.98 | J/mol×K | 825.12 | Joback Calculated Property |
| Cp,gas | 627.45 | J/mol×K | 857.02 | Joback Calculated Property |
| Cp,gas | 637.18 | J/mol×K | 888.92 | Joback Calculated Property |
Similar Compounds
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Sources
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