- InChI
- InChI=1S/C19H27BrO5/c1-5-8-9-12-24-17(21)19(6-2,7-3)18(22)25-15-11-10-14(20)13-16(15)23-4/h10-11,13H,5-9,12H2,1-4H3
- InChI Key
- NEKOTBFAMMLUQK-UHFFFAOYSA-N
- Formula
- C19H27BrO5
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc
c(Br)cc1OC - Molecular Weight1
- 415.32
- 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° | -353.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -826.14 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.35 | kJ/mol | Joback Calculated Property |
| log10WS | -5.87 | Crippen Calculated Property | |
| logPoct/wat | 4.903 | Crippen Calculated Property | |
| McVol | 293.060 | ml/mol | McGowan Calculated Property |
| Pc | 1504.65 | kPa | Joback Calculated Property |
| Inp | 2448.00 | NIST | |
| Tboil | 908.69 | K | Joback Calculated Property |
| Tc | 1125.95 | K | Joback Calculated Property |
| Tfus | 584.12 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [886.78; 951.65] | J/mol×K | [908.69; 1125.95] | 
|
| Cp,gas | 886.78 | J/mol×K | 908.69 | Joback Calculated Property |
| Cp,gas | 900.47 | J/mol×K | 944.90 | Joback Calculated Property |
| Cp,gas | 912.97 | J/mol×K | 981.11 | Joback Calculated Property |
| Cp,gas | 924.30 | J/mol×K | 1017.32 | Joback Calculated Property |
| Cp,gas | 934.51 | J/mol×K | 1053.53 | Joback Calculated Property |
| Cp,gas | 943.61 | J/mol×K | 1089.74 | Joback Calculated Property |
| Cp,gas | 951.65 | J/mol×K | 1125.95 | Joback Calculated Property |
| η | [0.0000291; 0.0002348] | Pa×s | [584.12; 908.69] |
|
| η | 0.0002348 | Pa×s | 584.12 | Joback Calculated Property |
| η | 0.0001431 | Pa×s | 638.22 | Joback Calculated Property |
| η | 0.0000942 | Pa×s | 692.31 | Joback Calculated Property |
| η | 0.0000659 | Pa×s | 746.40 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 800.50 | Joback Calculated Property |
| η | 0.0000369 | Pa×s | 854.60 | Joback Calculated Property |
| η | 0.0000291 | Pa×s | 908.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl pentyl ester.
Sources
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