- InChI
- InChI=1S/C17H23BrO5/c1-5-10-22-15(19)17(6-2,7-3)16(20)23-13-9-8-12(18)11-14(13)21-4/h8-9,11H,5-7,10H2,1-4H3
- InChI Key
- ZAIATAUBFHHZTP-UHFFFAOYSA-N
- Formula
- C17H23BrO5
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)Oc1ccc(
Br)cc1OC - Molecular Weight1
- 387.27
- 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° | -370.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -784.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.04 | Crippen Calculated Property | |
| logPoct/wat | 4.123 | Crippen Calculated Property | |
| McVol | 264.880 | ml/mol | McGowan Calculated Property |
| Pc | 1756.54 | kPa | Joback Calculated Property |
| Inp | 2274.00 | NIST | |
| Tboil | 862.93 | K | Joback Calculated Property |
| Tc | 1081.17 | K | Joback Calculated Property |
| Tfus | 561.58 | K | Joback Calculated Property |
| Vc | 0.997 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [771.29; 835.05] | J/mol×K | [862.93; 1081.17] | 
|
| Cp,gas | 771.29 | J/mol×K | 862.93 | Joback Calculated Property |
| Cp,gas | 784.66 | J/mol×K | 899.30 | Joback Calculated Property |
| Cp,gas | 796.89 | J/mol×K | 935.68 | Joback Calculated Property |
| Cp,gas | 808.02 | J/mol×K | 972.05 | Joback Calculated Property |
| Cp,gas | 818.08 | J/mol×K | 1008.42 | Joback Calculated Property |
| Cp,gas | 827.08 | J/mol×K | 1044.79 | Joback Calculated Property |
| Cp,gas | 835.05 | J/mol×K | 1081.17 | Joback Calculated Property |
| η | [0.0000397; 0.0002948] | Pa×s | [561.58; 862.93] |
|
| η | 0.0002948 | Pa×s | 561.58 | Joback Calculated Property |
| η | 0.0001839 | Pa×s | 611.81 | Joback Calculated Property |
| η | 0.0001233 | Pa×s | 662.03 | Joback Calculated Property |
| η | 0.0000874 | Pa×s | 712.25 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 762.48 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 812.70 | Joback Calculated Property |
| η | 0.0000397 | Pa×s | 862.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl propyl ester.
Sources
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