- InChI
- InChI=1S/C16H19F3O4/c1-10(2)8-22-14(20)4-3-5-15(21)23-9-11-12(17)6-7-13(18)16(11)19/h6-7,10H,3-5,8-9H2,1-2H3
- InChI Key
- UAAGQZDKILSUGC-UHFFFAOYSA-N
- Formula
- C16H19F3O4
- SMILES
-
CC(C)COC(=O)CCCC(=O)OCc1c(F)cc
c(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 | 0.8209 | Relay (1.0) Calculated Property | |
| ΔfG° | -887.35 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1282.93 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.67 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.517 | Crippen Calculated Property | |
| McVol | 232.730 | ml/mol | McGowan Calculated Property |
| Pc | 1596.17 | kPa | Joback Calculated Property |
| Inp | 2002.00 | NIST | |
| Tboil | 594.61 | K | Relay (1.0) Calculated Property |
| Tc | 767.67 | K | Relay (1.0) Calculated Property |
| Tfus | 308.17 | K | Relay (1.0) Calculated Property |
| Vc | 0.873 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [670.48; 739.51] | J/mol×K | [757.05; 945.48] | 
|
| Cp,gas | 670.48 | J/mol×K | 757.05 | Joback Calculated Property |
| Cp,gas | 684.07 | J/mol×K | 788.46 | Joback Calculated Property |
| Cp,gas | 696.82 | J/mol×K | 819.86 | Joback Calculated Property |
| Cp,gas | 708.74 | J/mol×K | 851.27 | Joback Calculated Property |
| Cp,gas | 719.82 | J/mol×K | 882.67 | Joback Calculated Property |
| Cp,gas | 730.08 | J/mol×K | 914.08 | Joback Calculated Property |
| Cp,gas | 739.51 | J/mol×K | 945.48 | Joback Calculated Property |
Similar Compounds
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Sources
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