- InChI
- InChI=1S/C15H17BrF2O4/c1-2-6-21-14(19)4-3-5-15(20)22-9-11-12(17)7-10(16)8-13(11)18/h7-8H,2-6,9H2,1H3
- InChI Key
- JQNKDIGDFBQVSO-UHFFFAOYSA-N
- Formula
- C15H17BrF2O4
- SMILES
-
CCCOC(=O)CCCC(=O)OCc1c(F)cc(Br
)cc1F - Molecular Weight1
- 379.19
- 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° | -684.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1006.30 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 76.36 | kJ/mol | Joback Calculated Property |
| log10WS | -5.25 | Crippen Calculated Property | |
| logPoct/wat | 3.894 | Crippen Calculated Property | |
| McVol | 234.370 | ml/mol | McGowan Calculated Property |
| Pc | 1888.72 | kPa | Joback Calculated Property |
| Inp | 2182.00 | NIST | |
| Tboil | 801.50 | K | Joback Calculated Property |
| Tc | 1004.10 | K | Joback Calculated Property |
| Tfus | 528.09 | K | Joback Calculated Property |
| Vc | 0.913 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [644.91; 704.71] | J/mol×K | [801.50; 1004.10] | 
|
| Cp,gas | 644.91 | J/mol×K | 801.50 | Joback Calculated Property |
| Cp,gas | 657.00 | J/mol×K | 835.27 | Joback Calculated Property |
| Cp,gas | 668.23 | J/mol×K | 869.03 | Joback Calculated Property |
| Cp,gas | 678.61 | J/mol×K | 902.80 | Joback Calculated Property |
| Cp,gas | 688.14 | J/mol×K | 936.57 | Joback Calculated Property |
| Cp,gas | 696.84 | J/mol×K | 970.33 | Joback Calculated Property |
| Cp,gas | 704.71 | J/mol×K | 1004.10 | Joback Calculated Property |
Similar Compounds
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Sources
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