- InChI
- InChI=1S/C17H13BrCl2O5/c1-23-14-9-10(18)5-6-12(14)24-15(21)7-8-16(22)25-13-4-2-3-11(19)17(13)20/h2-6,9H,7-8H2,1H3
- InChI Key
- LDYUMWWEXYIKKQ-UHFFFAOYSA-N
- Formula
- C17H13BrCl2O5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCC(=O)Oc1
cccc(Cl)c1Cl - Molecular Weight1
- 448.09
- 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° | -303.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -594.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.56 | kJ/mol | Joback Calculated Property |
| log10WS | -6.40 | Crippen Calculated Property | |
| logPoct/wat | 5.056 | Crippen Calculated Property | |
| McVol | 265.600 | ml/mol | McGowan Calculated Property |
| Pc | 2108.07 | kPa | Joback Calculated Property |
| Inp | [3121.00; 3121.00] |
|
|
| Inp | 3121.00 | NIST | |
| Inp | 3121.00 | NIST | |
| Tboil | 977.66 | K | Joback Calculated Property |
| Tc | 1224.20 | K | Joback Calculated Property |
| Tfus | 670.46 | K | Joback Calculated Property |
| Vc | 0.998 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [701.83; 729.24] | J/mol×K | [977.66; 1224.20] |
|
| Cp,gas | 701.83 | J/mol×K | 977.66 | Joback Calculated Property |
| Cp,gas | 709.76 | J/mol×K | 1018.75 | Joback Calculated Property |
| Cp,gas | 716.34 | J/mol×K | 1059.84 | Joback Calculated Property |
| Cp,gas | 721.57 | J/mol×K | 1100.93 | Joback Calculated Property |
| Cp,gas | 725.46 | J/mol×K | 1142.02 | Joback Calculated Property |
| Cp,gas | 728.02 | J/mol×K | 1183.11 | Joback Calculated Property |
| Cp,gas | 729.24 | J/mol×K | 1224.20 | Joback Calculated Property |
| η | [0.0000393; 0.0001810] | Pa×s | [670.46; 977.66] |
|
| η | 0.0001810 | Pa×s | 670.46 | Joback Calculated Property |
| η | 0.0001282 | Pa×s | 721.66 | Joback Calculated Property |
| η | 0.0000950 | Pa×s | 772.86 | Joback Calculated Property |
| η | 0.0000731 | Pa×s | 824.06 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 875.26 | Joback Calculated Property |
| η | 0.0000472 | Pa×s | 926.46 | Joback Calculated Property |
| η | 0.0000393 | Pa×s | 977.66 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 2,3-dichlorophenyl 4-bromo-2-methoxyphenyl ester.
Sources
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