- InChI
- InChI=1S/C17H14BrClO4/c18-12-7-9-14(10-8-12)22-16(20)5-2-6-17(21)23-15-4-1-3-13(19)11-15/h1,3-4,7-11H,2,5-6H2
- InChI Key
- YKXMSYGQBWSFOH-UHFFFAOYSA-N
- Formula
- C17H14BrClO4
- SMILES
-
O=C(CCCC(=O)Oc1cccc(Cl)c1)Oc1c
cc(Br)cc1 - Molecular Weight1
- 397.65
- 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° | -167.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -423.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.44 | kJ/mol | Joback Calculated Property |
| log10WS | -6.01 | Crippen Calculated Property | |
| logPoct/wat | 4.784 | Crippen Calculated Property | |
| McVol | 247.490 | ml/mol | McGowan Calculated Property |
| Pc | 2280.59 | kPa | Joback Calculated Property |
| Inp | [2842.00; 2842.00] |
|
|
| Inp | 2842.00 | NIST | |
| Inp | 2842.00 | NIST | |
| Tboil | 907.85 | K | Joback Calculated Property |
| Tc | 1152.03 | K | Joback Calculated Property |
| Tfus | 593.27 | K | Joback Calculated Property |
| Vc | 0.930 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [663.84; 709.24] | J/mol×K | [907.85; 1152.03] |
|
| Cp,gas | 663.84 | J/mol×K | 907.85 | Joback Calculated Property |
| Cp,gas | 674.20 | J/mol×K | 948.55 | Joback Calculated Property |
| Cp,gas | 683.39 | J/mol×K | 989.24 | Joback Calculated Property |
| Cp,gas | 691.44 | J/mol×K | 1029.94 | Joback Calculated Property |
| Cp,gas | 698.40 | J/mol×K | 1070.64 | Joback Calculated Property |
| Cp,gas | 704.32 | J/mol×K | 1111.34 | Joback Calculated Property |
| Cp,gas | 709.24 | J/mol×K | 1152.03 | Joback Calculated Property |
| η | [0.0000597; 0.0003584] | Pa×s | [593.27; 907.85] |
|
| η | 0.0003584 | Pa×s | 593.27 | Joback Calculated Property |
| η | 0.0002355 | Pa×s | 645.70 | Joback Calculated Property |
| η | 0.0001648 | Pa×s | 698.13 | Joback Calculated Property |
| η | 0.0001213 | Pa×s | 750.56 | Joback Calculated Property |
| η | 0.0000928 | Pa×s | 802.99 | Joback Calculated Property |
| η | 0.0000735 | Pa×s | 855.42 | Joback Calculated Property |
| η | 0.0000597 | Pa×s | 907.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric acid, 3-chlorophenyl 4-bromophenyl ester.
Sources
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