- InChI
- InChI=1S/C14H16BrClO4/c1-4-14(5-2,12(16)17)13(18)20-10-7-6-9(15)8-11(10)19-3/h6-8H,4-5H2,1-3H3
- InChI Key
- QIRIDLNLOMJESS-UHFFFAOYSA-N
- Formula
- C14H16BrClO4
- SMILES
-
CCC(CC)(C(=O)Cl)C(=O)Oc1ccc(Br
)cc1OC - Molecular Weight1
- 363.63
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -302.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -606.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.19 | kJ/mol | Joback Calculated Property |
| log10WS | -4.85 | Crippen Calculated Property | |
| logPoct/wat | 3.935 | Crippen Calculated Property | |
| McVol | 228.980 | ml/mol | McGowan Calculated Property |
| Pc | 2229.20 | kPa | Joback Calculated Property |
| Inp | 2130.00 | NIST | |
| Tboil | 809.30 | K | Joback Calculated Property |
| Tc | 1039.08 | K | Joback Calculated Property |
| Tfus | 535.46 | K | Joback Calculated Property |
| Vc | 0.860 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [601.29; 658.29] | J/mol×K | [809.30; 1039.08] | 
|
| Cp,gas | 601.29 | J/mol×K | 809.30 | Joback Calculated Property |
| Cp,gas | 613.14 | J/mol×K | 847.60 | Joback Calculated Property |
| Cp,gas | 623.99 | J/mol×K | 885.89 | Joback Calculated Property |
| Cp,gas | 633.89 | J/mol×K | 924.19 | Joback Calculated Property |
| Cp,gas | 642.88 | J/mol×K | 962.49 | Joback Calculated Property |
| Cp,gas | 651.00 | J/mol×K | 1000.79 | Joback Calculated Property |
| Cp,gas | 658.29 | J/mol×K | 1039.08 | Joback Calculated Property |
| η | [0.0000712; 0.0004719] | Pa×s | [535.46; 809.30] |
|
| η | 0.0004719 | Pa×s | 535.46 | Joback Calculated Property |
| η | 0.0003043 | Pa×s | 581.10 | Joback Calculated Property |
| η | 0.0002091 | Pa×s | 626.74 | Joback Calculated Property |
| η | 0.0001512 | Pa×s | 672.38 | Joback Calculated Property |
| η | 0.0001140 | Pa×s | 718.02 | Joback Calculated Property |
| η | 0.0000888 | Pa×s | 763.66 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 809.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, monochloride, 4-bromo-2-methoxyphenyl ester.
Sources
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