- InChI
- InChI=1S/C17H23BrO4/c1-5-17(6-2,15(19)21-11-12(3)4)16(20)22-14-9-7-13(18)8-10-14/h7-10,12H,5-6,11H2,1-4H3
- InChI Key
- IJFDBOMRTMERGR-UHFFFAOYSA-N
- Formula
- C17H23BrO4
- SMILES
-
CCC(CC)(C(=O)OCC(C)C)C(=O)Oc1c
cc(Br)cc1 - Molecular Weight1
- 371.27
- 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° | -258.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.45 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 33.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.44 | kJ/mol | Joback Calculated Property |
| log10WS | -5.09 | Crippen Calculated Property | |
| logPoct/wat | 4.360 | Crippen Calculated Property | |
| McVol | 259.010 | ml/mol | McGowan Calculated Property |
| Pc | 1816.95 | kPa | Joback Calculated Property |
| Inp | [2152.00; 2152.00] |
|
|
| Inp | 2152.00 | NIST | |
| Inp | 2152.00 | NIST | |
| Tboil | 835.09 | K | Joback Calculated Property |
| Tc | 1056.32 | K | Joback Calculated Property |
| Tfus | 511.83 | K | Joback Calculated Property |
| Vc | 0.973 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.93; 815.20] | J/mol×K | [835.09; 1056.32] |
|
| Cp,gas | 745.93 | J/mol×K | 835.09 | Joback Calculated Property |
| Cp,gas | 760.08 | J/mol×K | 871.96 | Joback Calculated Property |
| Cp,gas | 773.12 | J/mol×K | 908.83 | Joback Calculated Property |
| Cp,gas | 785.10 | J/mol×K | 945.71 | Joback Calculated Property |
| Cp,gas | 796.08 | J/mol×K | 982.58 | Joback Calculated Property |
| Cp,gas | 806.09 | J/mol×K | 1019.45 | Joback Calculated Property |
| Cp,gas | 815.20 | J/mol×K | 1056.32 | Joback Calculated Property |
| η | [0.0000485; 0.0005423] | Pa×s | [511.83; 835.09] |
|
| η | 0.0005423 | Pa×s | 511.83 | Joback Calculated Property |
| η | 0.0002994 | Pa×s | 565.71 | Joback Calculated Property |
| η | 0.0001833 | Pa×s | 619.58 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 673.46 | Joback Calculated Property |
| η | 0.0000854 | Pa×s | 727.34 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 781.21 | Joback Calculated Property |
| η | 0.0000485 | Pa×s | 835.09 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromophenyl isobutyl ester.
Sources
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