- InChI
- InChI=1S/C18H23BrF2O4/c1-2-3-4-5-9-24-17(22)7-6-8-18(23)25-12-14-15(20)10-13(19)11-16(14)21/h10-11H,2-9,12H2,1H3
- InChI Key
- PUXHZJDWVYNQFI-UHFFFAOYSA-N
- Formula
- C18H23BrF2O4
- SMILES
-
CCCCCCOC(=O)CCCC(=O)OCc1c(F)cc
(Br)cc1F - Molecular Weight1
- 421.27
- 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° | -658.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1068.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.04 | kJ/mol | Joback Calculated Property |
| log10WS | -6.51 | Crippen Calculated Property | |
| logPoct/wat | 5.064 | Crippen Calculated Property | |
| McVol | 276.640 | ml/mol | McGowan Calculated Property |
| Pc | 1491.89 | kPa | Joback Calculated Property |
| Inp | 2483.00 | NIST | |
| Tboil | 870.14 | K | Joback Calculated Property |
| Tc | 1073.62 | K | Joback Calculated Property |
| Tfus | 561.90 | K | Joback Calculated Property |
| Vc | 1.081 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [813.80; 877.66] | J/mol×K | [870.14; 1073.62] | 
|
| Cp,gas | 813.80 | J/mol×K | 870.14 | Joback Calculated Property |
| Cp,gas | 826.90 | J/mol×K | 904.05 | Joback Calculated Property |
| Cp,gas | 838.99 | J/mol×K | 937.97 | Joback Calculated Property |
| Cp,gas | 850.10 | J/mol×K | 971.88 | Joback Calculated Property |
| Cp,gas | 860.23 | J/mol×K | 1005.80 | Joback Calculated Property |
| Cp,gas | 869.41 | J/mol×K | 1039.71 | Joback Calculated Property |
| Cp,gas | 877.66 | J/mol×K | 1073.62 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,6-difluoro-4-bromobenzyl hexyl ester.
Sources
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