- InChI
- InChI=1S/C16H21BrO5/c1-5-16(6-2,14(18)21-7-3)15(19)22-12-9-8-11(17)10-13(12)20-4/h8-10H,5-7H2,1-4H3
- InChI Key
- WJRNSZVOAVWJBH-UHFFFAOYSA-N
- Formula
- C16H21BrO5
- SMILES
-
CCOC(=O)C(CC)(CC)C(=O)Oc1ccc(B
r)cc1OC - Molecular Weight1
- 373.24
- 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° | -378.69 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -764.22 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 35.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.62 | Crippen Calculated Property | |
| logPoct/wat | 3.733 | Crippen Calculated Property | |
| McVol | 250.790 | ml/mol | McGowan Calculated Property |
| Pc | 1906.90 | kPa | Joback Calculated Property |
| Inp | 2193.00 | NIST | |
| Tboil | 840.05 | K | Joback Calculated Property |
| Tc | 1059.83 | K | Joback Calculated Property |
| Tfus | 550.31 | K | Joback Calculated Property |
| Vc | 0.941 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [714.73; 777.66] | J/mol×K | [840.05; 1059.83] | 
|
| Cp,gas | 714.73 | J/mol×K | 840.05 | Joback Calculated Property |
| Cp,gas | 727.90 | J/mol×K | 876.68 | Joback Calculated Property |
| Cp,gas | 739.96 | J/mol×K | 913.31 | Joback Calculated Property |
| Cp,gas | 750.94 | J/mol×K | 949.94 | Joback Calculated Property |
| Cp,gas | 760.87 | J/mol×K | 986.57 | Joback Calculated Property |
| Cp,gas | 769.77 | J/mol×K | 1023.20 | Joback Calculated Property |
| Cp,gas | 777.66 | J/mol×K | 1059.83 | Joback Calculated Property |
| η | [0.0000462; 0.0003286] | Pa×s | [550.31; 840.05] |
|
| η | 0.0003286 | Pa×s | 550.31 | Joback Calculated Property |
| η | 0.0002076 | Pa×s | 598.60 | Joback Calculated Property |
| η | 0.0001405 | Pa×s | 646.89 | Joback Calculated Property |
| η | 0.0001004 | Pa×s | 695.18 | Joback Calculated Property |
| η | 0.0000749 | Pa×s | 743.47 | Joback Calculated Property |
| η | 0.0000579 | Pa×s | 791.76 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 840.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl ethyl ester.
Sources
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