- InChI
- InChI=1S/C14H15BrF2O4/c1-2-20-13(18)4-3-5-14(19)21-8-10-11(16)6-9(15)7-12(10)17/h6-7H,2-5,8H2,1H3
- InChI Key
- ADXMZGHFVFVKNJ-UHFFFAOYSA-N
- Formula
- C14H15BrF2O4
- SMILES
-
CCOC(=O)CCCC(=O)OCc1c(F)cc(Br)
cc1F - Molecular Weight1
- 365.17
- 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° | -692.62 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -985.66 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.13 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 3.504 | Crippen Calculated Property | |
| McVol | 220.280 | ml/mol | McGowan Calculated Property |
| Pc | 2056.76 | kPa | Joback Calculated Property |
| Inp | 2084.00 | NIST | |
| Tboil | 778.62 | K | Joback Calculated Property |
| Tc | 982.21 | K | Joback Calculated Property |
| Tfus | 516.82 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [590.52; 648.51] | J/mol×K | [778.62; 982.21] | 
|
| Cp,gas | 590.52 | J/mol×K | 778.62 | Joback Calculated Property |
| Cp,gas | 602.21 | J/mol×K | 812.55 | Joback Calculated Property |
| Cp,gas | 613.08 | J/mol×K | 846.48 | Joback Calculated Property |
| Cp,gas | 623.14 | J/mol×K | 880.42 | Joback Calculated Property |
| Cp,gas | 632.39 | J/mol×K | 914.35 | Joback Calculated Property |
| Cp,gas | 640.85 | J/mol×K | 948.28 | Joback Calculated Property |
| Cp,gas | 648.51 | J/mol×K | 982.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-difluoro-4-bromobenzyl ethyl ester.
Sources
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