- InChI
- InChI=1S/C17H23BrO4/c1-4-10-21-15(19)17(5-2,6-3)16(20)22-12-13-8-7-9-14(18)11-13/h7-9,11H,4-6,10,12H2,1-3H3
- InChI Key
- HPFOWVUWBNQYRB-UHFFFAOYSA-N
- Formula
- C17H23BrO4
- SMILES
-
CCCOC(=O)C(CC)(CC)C(=O)OCc1ccc
c(Br)c1 - 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° | -255.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -641.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.83 | kJ/mol | Joback Calculated Property |
| log10WS | -5.18 | Crippen Calculated Property | |
| logPoct/wat | 4.252 | Crippen Calculated Property | |
| McVol | 259.010 | ml/mol | McGowan Calculated Property |
| Pc | 1804.63 | kPa | Joback Calculated Property |
| Inp | [2166.00; 2166.00] |
|
|
| Inp | 2166.00 | NIST | |
| Inp | 2166.00 | NIST | |
| Tboil | 835.53 | K | Joback Calculated Property |
| Tc | 1053.80 | K | Joback Calculated Property |
| Tfus | 526.83 | K | Joback Calculated Property |
| Vc | 0.979 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [745.36; 814.18] | J/mol×K | [835.53; 1053.80] |
|
| Cp,gas | 745.36 | J/mol×K | 835.53 | Joback Calculated Property |
| Cp,gas | 759.34 | J/mol×K | 871.91 | Joback Calculated Property |
| Cp,gas | 772.26 | J/mol×K | 908.29 | Joback Calculated Property |
| Cp,gas | 784.15 | J/mol×K | 944.66 | Joback Calculated Property |
| Cp,gas | 795.06 | J/mol×K | 981.04 | Joback Calculated Property |
| Cp,gas | 805.06 | J/mol×K | 1017.42 | Joback Calculated Property |
| Cp,gas | 814.18 | J/mol×K | 1053.80 | Joback Calculated Property |
| η | [0.0000529; 0.0004832] | Pa×s | [526.83; 835.53] |
|
| η | 0.0004832 | Pa×s | 526.83 | Joback Calculated Property |
| η | 0.0002836 | Pa×s | 578.28 | Joback Calculated Property |
| η | 0.0001816 | Pa×s | 629.73 | Joback Calculated Property |
| η | 0.0001244 | Pa×s | 681.18 | Joback Calculated Property |
| η | 0.0000898 | Pa×s | 732.63 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 784.08 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 835.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 3-bromobenzyl propyl ester.
Sources
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