- InChI
- InChI=1S/C21H22Br2O4/c22-18-8-3-1-6-16(18)12-14-26-20(24)10-5-11-21(25)27-15-13-17-7-2-4-9-19(17)23/h1-4,6-9H,5,10-15H2
- InChI Key
- GXMIVDIVCAWBES-UHFFFAOYSA-N
- Formula
- C21H22Br2O4
- SMILES
-
O=C(CCCC(=O)OCCc1ccccc1Br)OCCc
1ccccc1Br - Molecular Weight1
- 498.20
- 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° | -107.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -463.59 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.40 | kJ/mol | Joback Calculated Property |
| log10WS | -6.87 | Crippen Calculated Property | |
| logPoct/wat | 5.253 | Crippen Calculated Property | |
| McVol | 309.110 | ml/mol | McGowan Calculated Property |
| Pc | 1777.34 | kPa | Joback Calculated Property |
| Inp | [3401.00; 3401.00] |
|
|
| Inp | 3401.00 | NIST | |
| Inp | 3401.00 | NIST | |
| Tboil | 1028.10 | K | Joback Calculated Property |
| Tc | 1271.63 | K | Joback Calculated Property |
| Tfus | 668.23 | K | Joback Calculated Property |
| Vc | 1.167 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [900.82; 948.27] | J/mol×K | [1028.10; 1271.63] |
|
| Cp,gas | 900.82 | J/mol×K | 1028.10 | Joback Calculated Property |
| Cp,gas | 911.38 | J/mol×K | 1068.69 | Joback Calculated Property |
| Cp,gas | 920.79 | J/mol×K | 1109.28 | Joback Calculated Property |
| Cp,gas | 929.11 | J/mol×K | 1149.87 | Joback Calculated Property |
| Cp,gas | 936.41 | J/mol×K | 1190.45 | Joback Calculated Property |
| Cp,gas | 942.78 | J/mol×K | 1231.04 | Joback Calculated Property |
| Cp,gas | 948.27 | J/mol×K | 1271.63 | Joback Calculated Property |
| η | [0.0000293; 0.0001887] | Pa×s | [668.23; 1028.10] |
|
| η | 0.0001887 | Pa×s | 668.23 | Joback Calculated Property |
| η | 0.0001217 | Pa×s | 728.21 | Joback Calculated Property |
| η | 0.0000839 | Pa×s | 788.19 | Joback Calculated Property |
| η | 0.0000610 | Pa×s | 848.16 | Joback Calculated Property |
| η | 0.0000462 | Pa×s | 908.14 | Joback Calculated Property |
| η | 0.0000363 | Pa×s | 968.12 | Joback Calculated Property |
| η | 0.0000293 | Pa×s | 1028.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, di(2-(2-bromophenyl)ethyl) ester.
Sources
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