- InChI
- InChI=1S/C13H13BrCl2O5/c1-19-10-6-8(14)2-3-9(10)21-13(18)5-4-12(17)20-7-11(15)16/h2-3,6,11H,4-5,7H2,1H3
- InChI Key
- AYZQEKNFFHVXEF-UHFFFAOYSA-N
- Formula
- C13H13BrCl2O5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCC(=O)OCC
(Cl)Cl - Molecular Weight1
- 400.05
- 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° | -433.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -730.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.67 | kJ/mol | Joback Calculated Property |
| log10WS | -4.52 | Crippen Calculated Property | |
| logPoct/wat | 3.490 | Crippen Calculated Property | |
| McVol | 233.000 | ml/mol | McGowan Calculated Property |
| Pc | 2295.91 | kPa | Joback Calculated Property |
| Inp | [2551.00; 2551.00] |
|
|
| Inp | 2551.00 | NIST | |
| Inp | 2551.00 | NIST | |
| Tboil | 849.06 | K | Joback Calculated Property |
| Tc | 1076.28 | K | Joback Calculated Property |
| Tfus | 558.92 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [591.72; 635.72] | J/mol×K | [849.06; 1076.28] |
|
| Cp,gas | 591.72 | J/mol×K | 849.06 | Joback Calculated Property |
| Cp,gas | 601.62 | J/mol×K | 886.93 | Joback Calculated Property |
| Cp,gas | 610.51 | J/mol×K | 924.80 | Joback Calculated Property |
| Cp,gas | 618.36 | J/mol×K | 962.67 | Joback Calculated Property |
| Cp,gas | 625.18 | J/mol×K | 1000.54 | Joback Calculated Property |
| Cp,gas | 630.97 | J/mol×K | 1038.41 | Joback Calculated Property |
| Cp,gas | 635.72 | J/mol×K | 1076.28 | Joback Calculated Property |
| η | [0.0000605; 0.0003763] | Pa×s | [558.92; 849.06] |
|
| η | 0.0003763 | Pa×s | 558.92 | Joback Calculated Property |
| η | 0.0002458 | Pa×s | 607.28 | Joback Calculated Property |
| η | 0.0001710 | Pa×s | 655.63 | Joback Calculated Property |
| η | 0.0001250 | Pa×s | 703.99 | Joback Calculated Property |
| η | 0.0000951 | Pa×s | 752.35 | Joback Calculated Property |
| η | 0.0000748 | Pa×s | 800.70 | Joback Calculated Property |
| η | 0.0000605 | Pa×s | 849.06 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,2-dichloroethyl 4-bromo-2-methoxyphenyl ester.
Sources
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