- InChI
- InChI=1S/C16H19F3O4/c1-2-3-9-22-14(20)5-4-6-15(21)23-10-11-12(17)7-8-13(18)16(11)19/h7-8H,2-6,9-10H2,1H3
- InChI Key
- XFDSSDFOCCUWLI-UHFFFAOYSA-N
- Formula
- C16H19F3O4
- SMILES
-
CCCCOC(=O)CCCC(=O)OCc1c(F)ccc(
F)c1F - Molecular Weight1
- 332.31
- 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 | 0.8531 | Relay (1.0) Calculated Property | |
| ΔfG° | -884.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1267.41 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 44.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.52 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.89 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.661 | Crippen Calculated Property | |
| McVol | 232.730 | ml/mol | McGowan Calculated Property |
| Pc | 1586.01 | kPa | Joback Calculated Property |
| Inp | 2044.00 | NIST | |
| Tboil | 596.46 | K | Relay (1.0) Calculated Property |
| Tc | 769.48 | K | Relay (1.0) Calculated Property |
| Tfus | 285.01 | K | Relay (1.0) Calculated Property |
| Vc | 0.876 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [669.92; 738.42] | J/mol×K | [757.49; 943.91] | 
|
| Cp,gas | 669.92 | J/mol×K | 757.49 | Joback Calculated Property |
| Cp,gas | 683.36 | J/mol×K | 788.56 | Joback Calculated Property |
| Cp,gas | 695.99 | J/mol×K | 819.63 | Joback Calculated Property |
| Cp,gas | 707.80 | J/mol×K | 850.70 | Joback Calculated Property |
| Cp,gas | 718.81 | J/mol×K | 881.77 | Joback Calculated Property |
| Cp,gas | 729.02 | J/mol×K | 912.84 | Joback Calculated Property |
| Cp,gas | 738.42 | J/mol×K | 943.91 | Joback Calculated Property |
Similar Compounds
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Sources
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