- InChI
- InChI=1S/C13H13BrCl2O4/c14-9-4-6-10(7-5-9)20-13(18)3-1-2-12(17)19-8-11(15)16/h4-7,11H,1-3,8H2
- InChI Key
- YIAYPMNMJAFAQY-UHFFFAOYSA-N
- Formula
- C13H13BrCl2O4
- SMILES
-
O=C(CCCC(=O)Oc1ccc(Br)cc1)OCC(
Cl)Cl - Molecular Weight1
- 384.05
- 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° | -318.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -586.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.60 | kJ/mol | Joback Calculated Property |
| log10WS | -4.82 | Crippen Calculated Property | |
| logPoct/wat | 3.872 | Crippen Calculated Property | |
| McVol | 227.130 | ml/mol | McGowan Calculated Property |
| Pc | 2367.97 | kPa | Joback Calculated Property |
| Inp | [2479.00; 2479.00] |
|
|
| Inp | 2479.00 | NIST | |
| Inp | 2479.00 | NIST | |
| Tboil | 821.66 | K | Joback Calculated Property |
| Tc | 1050.04 | K | Joback Calculated Property |
| Tfus | 524.17 | K | Joback Calculated Property |
| Vc | 0.858 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [568.93; 617.53] | J/mol×K | [821.66; 1050.04] |
|
| Cp,gas | 568.93 | J/mol×K | 821.66 | Joback Calculated Property |
| Cp,gas | 579.34 | J/mol×K | 859.72 | Joback Calculated Property |
| Cp,gas | 588.79 | J/mol×K | 897.79 | Joback Calculated Property |
| Cp,gas | 597.31 | J/mol×K | 935.85 | Joback Calculated Property |
| Cp,gas | 604.92 | J/mol×K | 973.91 | Joback Calculated Property |
| Cp,gas | 611.66 | J/mol×K | 1011.97 | Joback Calculated Property |
| Cp,gas | 617.53 | J/mol×K | 1050.04 | Joback Calculated Property |
| η | [0.0000803; 0.0006025] | Pa×s | [524.17; 821.66] |
|
| η | 0.0006025 | Pa×s | 524.17 | Joback Calculated Property |
| η | 0.0003724 | Pa×s | 573.75 | Joback Calculated Property |
| η | 0.0002485 | Pa×s | 623.33 | Joback Calculated Property |
| η | 0.0001760 | Pa×s | 672.91 | Joback Calculated Property |
| η | 0.0001307 | Pa×s | 722.50 | Joback Calculated Property |
| η | 0.0001008 | Pa×s | 772.08 | Joback Calculated Property |
| η | 0.0000803 | Pa×s | 821.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 2,2-dichloroethyl 4-bromophenyl ester.
Sources
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