- InChI
- InChI=1S/C19H18Br2O4/c20-16-6-1-4-14(10-16)12-24-18(22)8-3-9-19(23)25-13-15-5-2-7-17(21)11-15/h1-2,4-7,10-11H,3,8-9,12-13H2
- InChI Key
- UTHIYRFZEOVVEE-UHFFFAOYSA-N
- Formula
- C19H18Br2O4
- SMILES
-
O=C(CCCC(=O)OCc1cccc(Br)c1)OCc
1cccc(Br)c1 - Molecular Weight1
- 470.15
- 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° | -124.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -422.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.95 | kJ/mol | Joback Calculated Property |
| log10WS | -7.02 | Crippen Calculated Property | |
| logPoct/wat | 5.169 | Crippen Calculated Property | |
| McVol | 280.930 | ml/mol | McGowan Calculated Property |
| Pc | 2104.20 | kPa | Joback Calculated Property |
| Inp | [3420.00; 3420.00] |
|
|
| Inp | 3420.00 | NIST | |
| Inp | 3420.00 | NIST | |
| Tboil | 982.34 | K | Joback Calculated Property |
| Tc | 1227.67 | K | Joback Calculated Property |
| Tfus | 645.69 | K | Joback Calculated Property |
| Vc | 1.056 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [785.03; 830.79] | J/mol×K | [982.34; 1227.67] |
|
| Cp,gas | 785.03 | J/mol×K | 982.34 | Joback Calculated Property |
| Cp,gas | 795.29 | J/mol×K | 1023.23 | Joback Calculated Property |
| Cp,gas | 804.41 | J/mol×K | 1064.12 | Joback Calculated Property |
| Cp,gas | 812.46 | J/mol×K | 1105.01 | Joback Calculated Property |
| Cp,gas | 819.49 | J/mol×K | 1145.89 | Joback Calculated Property |
| Cp,gas | 825.58 | J/mol×K | 1186.78 | Joback Calculated Property |
| Cp,gas | 830.79 | J/mol×K | 1227.67 | Joback Calculated Property |
| η | [0.0000399; 0.0002386] | Pa×s | [645.69; 982.34] |
|
| η | 0.0002386 | Pa×s | 645.69 | Joback Calculated Property |
| η | 0.0001572 | Pa×s | 701.80 | Joback Calculated Property |
| η | 0.0001102 | Pa×s | 757.91 | Joback Calculated Property |
| η | 0.0000811 | Pa×s | 814.02 | Joback Calculated Property |
| η | 0.0000621 | Pa×s | 870.12 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 926.23 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 982.34 | Joback Calculated Property |
Similar Compounds
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Sources
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