- InChI
- InChI=1S/C19H27BrO4/c1-4-7-8-9-14-23-17(21)19(5-2,6-3)18(22)24-16-12-10-15(20)11-13-16/h10-13H,4-9,14H2,1-3H3
- InChI Key
- LGSNJGBXHPXYKI-UHFFFAOYSA-N
- Formula
- C19H27BrO4
- SMILES
-
CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c
cc(Br)cc1 - Molecular Weight1
- 399.32
- 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° | -238.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -682.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.28 | kJ/mol | Joback Calculated Property |
| log10WS | -6.17 | Crippen Calculated Property | |
| logPoct/wat | 5.284 | Crippen Calculated Property | |
| McVol | 287.190 | ml/mol | McGowan Calculated Property |
| Pc | 1542.71 | kPa | Joback Calculated Property |
| Inp | [2380.00; 2380.00] |
|
|
| Inp | 2380.00 | NIST | |
| Inp | 2380.00 | NIST | |
| Tboil | 881.29 | K | Joback Calculated Property |
| Tc | 1097.30 | K | Joback Calculated Property |
| Tfus | 549.37 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.19; 931.13] | J/mol×K | [881.29; 1097.30] |
|
| Cp,gas | 860.19 | J/mol×K | 881.29 | Joback Calculated Property |
| Cp,gas | 874.58 | J/mol×K | 917.29 | Joback Calculated Property |
| Cp,gas | 887.87 | J/mol×K | 953.29 | Joback Calculated Property |
| Cp,gas | 900.12 | J/mol×K | 989.30 | Joback Calculated Property |
| Cp,gas | 911.37 | J/mol×K | 1025.30 | Joback Calculated Property |
| Cp,gas | 921.69 | J/mol×K | 1061.30 | Joback Calculated Property |
| Cp,gas | 931.13 | J/mol×K | 1097.30 | Joback Calculated Property |
| η | [0.0000389; 0.0003847] | Pa×s | [549.37; 881.29] |
|
| η | 0.0003847 | Pa×s | 549.37 | Joback Calculated Property |
| η | 0.0002204 | Pa×s | 604.69 | Joback Calculated Property |
| η | 0.0001387 | Pa×s | 660.01 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 715.33 | Joback Calculated Property |
| η | 0.0000670 | Pa×s | 770.65 | Joback Calculated Property |
| η | 0.0000501 | Pa×s | 825.97 | Joback Calculated Property |
| η | 0.0000389 | Pa×s | 881.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromophenyl hexyl ester.
Sources
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