- InChI
- InChI=1S/C14H18FNO3/c1-3-4-9-19-13(17)10-16(2)14(18)11-7-5-6-8-12(11)15/h5-8H,3-4,9-10H2,1-2H3
- InChI Key
- KARWYRRQPLZMBN-UHFFFAOYSA-N
- Formula
- C14H18FNO3
- SMILES
- CCCCOC(=O)CN(C)C(=O)c1ccccc1F
- Molecular Weight1
- 267.30
- 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 | 0.7165 | Relay (1.0) Calculated Property | |
| ΔfG° | -277.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -698.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 36.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.68 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.241 | Crippen Calculated Property | |
| McVol | 205.120 | ml/mol | McGowan Calculated Property |
| Pc | 2096.50 | kPa | Joback Calculated Property |
| Inp | [1962.00; 1962.00] |
|
|
| Inp | 1962.00 | NIST | |
| Inp | 1962.00 | NIST | |
| Tboil | 589.91 | K | Relay (1.0) Calculated Property |
| Tc | 788.74 | K | Relay (1.0) Calculated Property |
| Tfus | 290.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.757 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [560.34; 633.31] | J/mol×K | [693.25; 890.84] |
|
| Cp,gas | 560.34 | J/mol×K | 693.25 | Joback Calculated Property |
| Cp,gas | 574.62 | J/mol×K | 726.18 | Joback Calculated Property |
| Cp,gas | 588.02 | J/mol×K | 759.11 | Joback Calculated Property |
| Cp,gas | 600.56 | J/mol×K | 792.05 | Joback Calculated Property |
| Cp,gas | 612.27 | J/mol×K | 824.98 | Joback Calculated Property |
| Cp,gas | 623.18 | J/mol×K | 857.91 | Joback Calculated Property |
| Cp,gas | 633.31 | J/mol×K | 890.84 | Joback Calculated Property |
Similar Compounds
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Sources
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