- InChI
- InChI=1S/C16H20BrFO4/c1-10(2)11(3)21-15(19)5-4-6-16(20)22-14-8-7-12(18)9-13(14)17/h7-11H,4-6H2,1-3H3
- InChI Key
- UHYGSNLXLWOMPY-UHFFFAOYSA-N
- Formula
- C16H20BrFO4
- SMILES
-
CC(C)C(C)OC(=O)CCCC(=O)Oc1ccc(
F)cc1Br - Molecular Weight1
- 375.23
- 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° | -476.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -829.92 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.35 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.96 | kJ/mol | Joback Calculated Property |
| log10WS | -5.36 | Crippen Calculated Property | |
| logPoct/wat | 4.252 | Crippen Calculated Property | |
| McVol | 246.690 | ml/mol | McGowan Calculated Property |
| Pc | 1856.31 | kPa | Joback Calculated Property |
| Inp | [2154.00; 2154.00] |
|
|
| Inp | 2154.00 | NIST | |
| Inp | 2154.00 | NIST | |
| Tboil | 819.25 | K | Joback Calculated Property |
| Tc | 1031.09 | K | Joback Calculated Property |
| Tfus | 496.25 | K | Joback Calculated Property |
| Vc | 0.940 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [695.13; 759.72] | J/mol×K | [819.25; 1031.09] |
|
| Cp,gas | 695.13 | J/mol×K | 819.25 | Joback Calculated Property |
| Cp,gas | 708.39 | J/mol×K | 854.56 | Joback Calculated Property |
| Cp,gas | 720.62 | J/mol×K | 889.86 | Joback Calculated Property |
| Cp,gas | 731.86 | J/mol×K | 925.17 | Joback Calculated Property |
| Cp,gas | 742.11 | J/mol×K | 960.48 | Joback Calculated Property |
| Cp,gas | 751.39 | J/mol×K | 995.79 | Joback Calculated Property |
| Cp,gas | 759.72 | J/mol×K | 1031.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-yl 2-bromo-4-fluorophenyl ester.
Sources
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