- InChI
- InChI=1S/C16H21FO4/c1-12(2)10-20-15(18)7-4-8-16(19)21-11-13-5-3-6-14(17)9-13/h3,5-6,9,12H,4,7-8,10-11H2,1-2H3
- InChI Key
- PUBKTPGCISSIEL-UHFFFAOYSA-N
- Formula
- C16H21FO4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1cccc(F
)c1 - Molecular Weight1
- 296.33
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -478.47 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -839.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.98 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.26 | kJ/mol | Joback Calculated Property |
| log10WS | -3.93 | Crippen Calculated Property | |
| logPoct/wat | 3.238 | Crippen Calculated Property | |
| McVol | 229.190 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | 2030.00 | NIST | |
| Tboil | 748.55 | K | Joback Calculated Property |
| Tc | 946.59 | K | Joback Calculated Property |
| Tfus | 438.93 | K | Joback Calculated Property |
| Vc | 0.883 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [656.73; 731.34] | J/mol×K | [748.55; 946.59] | 
|
| Cp,gas | 656.73 | J/mol×K | 748.55 | Joback Calculated Property |
| Cp,gas | 671.50 | J/mol×K | 781.56 | Joback Calculated Property |
| Cp,gas | 685.32 | J/mol×K | 814.56 | Joback Calculated Property |
| Cp,gas | 698.20 | J/mol×K | 847.57 | Joback Calculated Property |
| Cp,gas | 710.16 | J/mol×K | 880.57 | Joback Calculated Property |
| Cp,gas | 721.20 | J/mol×K | 913.58 | Joback Calculated Property |
| Cp,gas | 731.34 | J/mol×K | 946.59 | Joback Calculated Property |
Similar Compounds
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Sources
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