- InChI
- InChI=1S/C20H29BrO4/c1-4-7-8-9-14-24-18(22)20(5-2,6-3)19(23)25-15-16-10-12-17(21)13-11-16/h10-13H,4-9,14-15H2,1-3H3
- InChI Key
- YEUWIWNUJWWCSS-UHFFFAOYSA-N
- Formula
- C20H29BrO4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)OCc1
ccc(Br)cc1 - Molecular Weight1
- 413.35
- 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° | -230.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -703.09 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.65 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.50 | kJ/mol | Joback Calculated Property |
| log10WS | -6.44 | Crippen Calculated Property | |
| logPoct/wat | 5.422 | Crippen Calculated Property | |
| McVol | 301.280 | ml/mol | McGowan Calculated Property |
| Pc | 1432.63 | kPa | Joback Calculated Property |
| Inp | [2461.00; 2461.00] |
|
|
| Inp | 2461.00 | NIST | |
| Inp | 2461.00 | NIST | |
| Tboil | 904.17 | K | Joback Calculated Property |
| Tc | 1120.13 | K | Joback Calculated Property |
| Tfus | 560.64 | K | Joback Calculated Property |
| Vc | 1.147 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.78; 990.65] | J/mol×K | [904.17; 1120.13] |
|
| Cp,gas | 918.78 | J/mol×K | 904.17 | Joback Calculated Property |
| Cp,gas | 933.36 | J/mol×K | 940.16 | Joback Calculated Property |
| Cp,gas | 946.83 | J/mol×K | 976.16 | Joback Calculated Property |
| Cp,gas | 959.23 | J/mol×K | 1012.15 | Joback Calculated Property |
| Cp,gas | 970.63 | J/mol×K | 1048.14 | Joback Calculated Property |
| Cp,gas | 981.08 | J/mol×K | 1084.14 | Joback Calculated Property |
| Cp,gas | 990.65 | J/mol×K | 1120.13 | Joback Calculated Property |
| η | [0.0000332; 0.0003416] | Pa×s | [560.64; 904.17] |
|
| η | 0.0003416 | Pa×s | 560.64 | Joback Calculated Property |
| η | 0.0001935 | Pa×s | 617.89 | Joback Calculated Property |
| η | 0.0001207 | Pa×s | 675.15 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 732.40 | Joback Calculated Property |
| η | 0.0000577 | Pa×s | 789.66 | Joback Calculated Property |
| η | 0.0000430 | Pa×s | 846.91 | Joback Calculated Property |
| η | 0.0000332 | Pa×s | 904.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromobenzyl hexyl ester.
Sources
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