- InChI
- InChI=1S/C16H21FO4/c1-2-3-10-20-15(18)8-5-9-16(19)21-12-13-6-4-7-14(17)11-13/h4,6-7,11H,2-3,5,8-10,12H2,1H3
- InChI Key
- SYUXGIKWEWPUHB-UHFFFAOYSA-N
- Formula
- C16H21FO4
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1cccc(F)c
1 - Molecular Weight1
- 296.33
- 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 | 0.8166 | Relay (1.0) Calculated Property | |
| ΔfG° | -476.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -945.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 39.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.85 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.87 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.382 | Crippen Calculated Property | |
| McVol | 229.190 | ml/mol | McGowan Calculated Property |
| Pc | 1749.21 | kPa | Joback Calculated Property |
| Inp | 2075.00 | NIST | |
| Tboil | 601.74 | K | Relay (1.0) Calculated Property |
| Tc | 782.70 | K | Relay (1.0) Calculated Property |
| Tfus | 254.78 | K | Relay (1.0) Calculated Property |
| Vc | 0.859 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.18; 730.06] | J/mol×K | [748.99; 944.39] | 
|
| Cp,gas | 656.18 | J/mol×K | 748.99 | Joback Calculated Property |
| Cp,gas | 670.75 | J/mol×K | 781.56 | Joback Calculated Property |
| Cp,gas | 684.40 | J/mol×K | 814.12 | Joback Calculated Property |
| Cp,gas | 697.14 | J/mol×K | 846.69 | Joback Calculated Property |
| Cp,gas | 708.99 | J/mol×K | 879.26 | Joback Calculated Property |
| Cp,gas | 719.96 | J/mol×K | 911.83 | Joback Calculated Property |
| Cp,gas | 730.06 | J/mol×K | 944.39 | Joback Calculated Property |
Similar Compounds
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Sources
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