- InChI
- InChI=1S/C18H25BrO5/c1-6-18(7-2,16(20)23-11-12(3)4)17(21)24-14-9-8-13(19)10-15(14)22-5/h8-10,12H,6-7,11H2,1-5H3
- InChI Key
- DGWIJMXIPRGFQK-UHFFFAOYSA-N
- Formula
- C18H25BrO5
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(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° | -364.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -810.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.73 | kJ/mol | Joback Calculated Property |
| log10WS | -5.21 | Crippen Calculated Property | |
| logPoct/wat | 4.369 | Crippen Calculated Property | |
| McVol | 278.970 | ml/mol | McGowan Calculated Property |
| Pc | 1633.81 | kPa | Joback Calculated Property |
| Inp | 2317.00 | NIST | |
| Tboil | 885.37 | K | Joback Calculated Property |
| Tc | 1105.08 | K | Joback Calculated Property |
| Tfus | 557.85 | K | Joback Calculated Property |
| Vc | 1.046 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [829.20; 893.72] | J/mol×K | [885.37; 1105.08] | 
|
| Cp,gas | 829.20 | J/mol×K | 885.37 | Joback Calculated Property |
| Cp,gas | 842.85 | J/mol×K | 921.99 | Joback Calculated Property |
| Cp,gas | 855.30 | J/mol×K | 958.61 | Joback Calculated Property |
| Cp,gas | 866.59 | J/mol×K | 995.23 | Joback Calculated Property |
| Cp,gas | 876.73 | J/mol×K | 1031.84 | Joback Calculated Property |
| Cp,gas | 885.77 | J/mol×K | 1068.46 | Joback Calculated Property |
| Cp,gas | 893.72 | J/mol×K | 1105.08 | Joback Calculated Property |
| η | [0.0000311; 0.0002882] | Pa×s | [557.85; 885.37] |
|
| η | 0.0002882 | Pa×s | 557.85 | Joback Calculated Property |
| η | 0.0001686 | Pa×s | 612.44 | Joback Calculated Property |
| η | 0.0001076 | Pa×s | 667.02 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 721.61 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 776.20 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 830.78 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 885.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl isobutyl ester.
Sources
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