- InChI
- InChI=1S/C28H45BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-32-27(30)21-18-22-28(31)33-24-25-19-15-16-20-26(25)29/h15-16,19-20H,2-14,17-18,21-24H2,1H3
- InChI Key
- XLBATZQUIPEMGK-UHFFFAOYSA-N
- Formula
- C28H45BrO4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)CCCC(=O)
OCc1ccccc1Br - Molecular Weight1
- 525.56
- 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° | -165.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 72.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.61 | kJ/mol | Joback Calculated Property |
| log10WS | -10.03 | Crippen Calculated Property | |
| logPoct/wat | 8.687 | Crippen Calculated Property | |
| McVol | 414.000 | ml/mol | McGowan Calculated Property |
| Pc | 850.48 | kPa | Joback Calculated Property |
| Inp | [3613.00; 3613.00] |
|
|
| Inp | 3613.00 | NIST | |
| Inp | 3613.00 | NIST | |
| Tboil | 1090.44 | K | Joback Calculated Property |
| Tc | 1344.26 | K | Joback Calculated Property |
| Tfus | 648.38 | K | Joback Calculated Property |
| Vc | 1.605 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1408.55; 1484.05] | J/mol×K | [1090.44; 1344.26] |
|
| Cp,gas | 1408.55 | J/mol×K | 1090.44 | Joback Calculated Property |
| Cp,gas | 1425.23 | J/mol×K | 1132.74 | Joback Calculated Property |
| Cp,gas | 1440.14 | J/mol×K | 1175.05 | Joback Calculated Property |
| Cp,gas | 1453.37 | J/mol×K | 1217.35 | Joback Calculated Property |
| Cp,gas | 1465.03 | J/mol×K | 1259.65 | Joback Calculated Property |
| Cp,gas | 1475.23 | J/mol×K | 1301.96 | Joback Calculated Property |
| Cp,gas | 1484.05 | J/mol×K | 1344.26 | Joback Calculated Property |
| η | [0.0000123; 0.0001450] | Pa×s | [648.38; 1090.44] |
|
| η | 0.0001450 | Pa×s | 648.38 | Joback Calculated Property |
| η | 0.0000779 | Pa×s | 722.06 | Joback Calculated Property |
| η | 0.0000469 | Pa×s | 795.73 | Joback Calculated Property |
| η | 0.0000308 | Pa×s | 869.41 | Joback Calculated Property |
| η | 0.0000216 | Pa×s | 943.09 | Joback Calculated Property |
| η | 0.0000159 | Pa×s | 1016.76 | Joback Calculated Property |
| η | 0.0000123 | Pa×s | 1090.44 | Joback Calculated Property |
Similar Compounds
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Sources
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