- InChI
- InChI=1S/C17H15BrO4/c1-2-21-16(19)12-7-9-13(10-8-12)17(20)22-11-14-5-3-4-6-15(14)18/h3-10H,2,11H2,1H3
- InChI Key
- LRIMYPCPESZUIB-UHFFFAOYSA-N
- Formula
- C17H15BrO4
- SMILES
-
CCOC(=O)c1ccc(C(=O)OCc2ccccc2B
r)cc1 - Molecular Weight1
- 363.20
- 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° | -155.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -407.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.06 | kJ/mol | Joback Calculated Property |
| log10WS | -5.65 | Crippen Calculated Property | |
| logPoct/wat | 3.983 | Crippen Calculated Property | |
| McVol | 235.250 | ml/mol | McGowan Calculated Property |
| Pc | 2363.37 | kPa | Joback Calculated Property |
| Inp | [2716.00; 2716.00] |
|
|
| Inp | 2716.00 | NIST | |
| Inp | 2716.00 | NIST | |
| Tboil | 870.42 | K | Joback Calculated Property |
| Tc | 1112.19 | K | Joback Calculated Property |
| Tfus | 563.35 | K | Joback Calculated Property |
| Vc | 0.881 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [643.96; 696.86] | J/mol×K | [870.42; 1112.19] |
|
| Cp,gas | 643.96 | J/mol×K | 870.42 | Joback Calculated Property |
| Cp,gas | 655.66 | J/mol×K | 910.71 | Joback Calculated Property |
| Cp,gas | 666.16 | J/mol×K | 951.01 | Joback Calculated Property |
| Cp,gas | 675.49 | J/mol×K | 991.30 | Joback Calculated Property |
| Cp,gas | 683.69 | J/mol×K | 1031.60 | Joback Calculated Property |
| Cp,gas | 690.80 | J/mol×K | 1071.89 | Joback Calculated Property |
| Cp,gas | 696.86 | J/mol×K | 1112.19 | Joback Calculated Property |
| η | [0.0000695; 0.0004265] | Pa×s | [563.35; 870.42] |
|
| η | 0.0004265 | Pa×s | 563.35 | Joback Calculated Property |
| η | 0.0002779 | Pa×s | 614.53 | Joback Calculated Property |
| η | 0.0001934 | Pa×s | 665.71 | Joback Calculated Property |
| η | 0.0001418 | Pa×s | 716.88 | Joback Calculated Property |
| η | 0.0001083 | Pa×s | 768.06 | Joback Calculated Property |
| η | 0.0000856 | Pa×s | 819.24 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 870.42 | Joback Calculated Property |
Similar Compounds
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Sources
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