- InChI
- InChI=1S/C16H18BrFO4/c1-11(2)8-9-21-15(19)4-3-5-16(20)22-14-7-6-12(18)10-13(14)17/h6-8,10H,3-5,9H2,1-2H3
- InChI Key
- YMQXMHYWPYOANT-UHFFFAOYSA-N
- Formula
- C16H18BrFO4
- SMILES
-
CC(C)=CCOC(=O)CCCC(=O)Oc1ccc(F
)cc1Br - Molecular Weight1
- 373.21
- 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° | -399.67 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -711.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 43.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.78 | kJ/mol | Joback Calculated Property |
| log10WS | -5.34 | Crippen Calculated Property | |
| logPoct/wat | 4.173 | Crippen Calculated Property | |
| McVol | 242.390 | ml/mol | McGowan Calculated Property |
| Pc | 1923.67 | kPa | Joback Calculated Property |
| Inp | [2270.00; 2270.00] |
|
|
| Inp | 2270.00 | NIST | |
| Inp | 2270.00 | NIST | |
| Tboil | 824.17 | K | Joback Calculated Property |
| Tc | 1038.63 | K | Joback Calculated Property |
| Tfus | 507.21 | K | Joback Calculated Property |
| Vc | 0.932 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [667.15; 729.53] | J/mol×K | [824.17; 1038.63] |
|
| Cp,gas | 667.15 | J/mol×K | 824.17 | Joback Calculated Property |
| Cp,gas | 679.73 | J/mol×K | 859.91 | Joback Calculated Property |
| Cp,gas | 691.40 | J/mol×K | 895.66 | Joback Calculated Property |
| Cp,gas | 702.18 | J/mol×K | 931.40 | Joback Calculated Property |
| Cp,gas | 712.10 | J/mol×K | 967.14 | Joback Calculated Property |
| Cp,gas | 721.21 | J/mol×K | 1002.88 | Joback Calculated Property |
| Cp,gas | 729.53 | J/mol×K | 1038.63 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2-bromo-4-fluorophenyl ester.
Sources
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