- InChI
- InChI=1S/C17H14BrClO5/c1-22-15-9-11(18)5-6-14(15)24-17(21)8-7-16(20)23-13-4-2-3-12(19)10-13/h2-6,9-10H,7-8H2,1H3
- InChI Key
- FVVWPENVVJYCDT-UHFFFAOYSA-N
- Formula
- C17H14BrClO5
- SMILES
-
COc1cc(Br)ccc1OC(=O)CCC(=O)Oc1
cccc(Cl)c1 - Molecular Weight1
- 413.65
- 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° | -282.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -566.79 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.52 | kJ/mol | Joback Calculated Property |
| log10WS | -5.72 | Crippen Calculated Property | |
| logPoct/wat | 4.402 | Crippen Calculated Property | |
| McVol | 253.360 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [2914.00; 2914.00] |
|
|
| Inp | 2914.00 | NIST | |
| Inp | 2914.00 | NIST | |
| Tboil | 935.25 | K | Joback Calculated Property |
| Tc | 1178.11 | K | Joback Calculated Property |
| Tfus | 628.02 | K | Joback Calculated Property |
| Vc | 0.949 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [686.54; 723.94] | J/mol×K | [935.25; 1178.11] |
|
| Cp,gas | 686.54 | J/mol×K | 935.25 | Joback Calculated Property |
| Cp,gas | 696.03 | J/mol×K | 975.73 | Joback Calculated Property |
| Cp,gas | 704.20 | J/mol×K | 1016.20 | Joback Calculated Property |
| Cp,gas | 711.06 | J/mol×K | 1056.68 | Joback Calculated Property |
| Cp,gas | 716.63 | J/mol×K | 1097.16 | Joback Calculated Property |
| Cp,gas | 720.92 | J/mol×K | 1137.64 | Joback Calculated Property |
| Cp,gas | 723.94 | J/mol×K | 1178.11 | Joback Calculated Property |
| η | [0.0000453; 0.0002341] | Pa×s | [628.02; 935.25] |
|
| η | 0.0002341 | Pa×s | 628.02 | Joback Calculated Property |
| η | 0.0001606 | Pa×s | 679.23 | Joback Calculated Property |
| η | 0.0001162 | Pa×s | 730.43 | Joback Calculated Property |
| η | 0.0000877 | Pa×s | 781.63 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 832.84 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 884.05 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 935.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Succinic acid, 3-chlorophenyl 4-bromo-2-methoxyphenyl ester.
Sources
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