- InChI
- InChI=1S/C18H25BrO5/c1-5-8-11-23-16(20)18(6-2,7-3)17(21)24-14-10-9-13(19)12-15(14)22-4/h9-10,12H,5-8,11H2,1-4H3
- InChI Key
- ZRGUYGABDZCZNP-UHFFFAOYSA-N
- Formula
- C18H25BrO5
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)Oc1ccc
(Br)cc1OC - Molecular Weight1
- 401.29
- 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° | -361.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -805.50 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 40.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.12 | kJ/mol | Joback Calculated Property |
| log10WS | -5.46 | Crippen Calculated Property | |
| logPoct/wat | 4.513 | Crippen Calculated Property | |
| McVol | 278.970 | ml/mol | McGowan Calculated Property |
| Pc | 1623.29 | kPa | Joback Calculated Property |
| Inp | 2356.00 | NIST | |
| Tboil | 885.81 | K | Joback Calculated Property |
| Tc | 1103.19 | K | Joback Calculated Property |
| Tfus | 572.85 | K | Joback Calculated Property |
| Vc | 1.052 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [828.66; 893.06] | J/mol×K | [885.81; 1103.19] | 
|
| Cp,gas | 828.66 | J/mol×K | 885.81 | Joback Calculated Property |
| Cp,gas | 842.20 | J/mol×K | 922.04 | Joback Calculated Property |
| Cp,gas | 854.58 | J/mol×K | 958.27 | Joback Calculated Property |
| Cp,gas | 865.83 | J/mol×K | 994.50 | Joback Calculated Property |
| Cp,gas | 875.97 | J/mol×K | 1030.73 | Joback Calculated Property |
| Cp,gas | 885.03 | J/mol×K | 1066.96 | Joback Calculated Property |
| Cp,gas | 893.06 | J/mol×K | 1103.19 | Joback Calculated Property |
| η | [0.0000340; 0.0002635] | Pa×s | [572.85; 885.81] |
|
| η | 0.0002635 | Pa×s | 572.85 | Joback Calculated Property |
| η | 0.0001625 | Pa×s | 625.01 | Joback Calculated Property |
| η | 0.0001079 | Pa×s | 677.17 | Joback Calculated Property |
| η | 0.0000760 | Pa×s | 729.33 | Joback Calculated Property |
| η | 0.0000561 | Pa×s | 781.49 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 833.65 | Joback Calculated Property |
| η | 0.0000340 | Pa×s | 885.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl butyl ester.
Sources
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