- InChI
- InChI=1S/C32H53BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-36-30(34)32(5-2,6-3)31(35)37-27-28-23-22-24-29(33)26-28/h22-24,26H,4-21,25,27H2,1-3H3
- InChI Key
- RNGARFMARSIFOE-UHFFFAOYSA-N
- Formula
- C32H53BrO4
- SMILES
-
CCCCCCCCCCCCCCCCCCOC(=O)C(CC)(
CC)C(=O)OCc1cccc(Br)c1 - Molecular Weight1
- 581.66
- 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° | -129.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -950.77 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 113.21 | kJ/mol | Joback Calculated Property |
| log10WS | -11.46 | Crippen Calculated Property | |
| logPoct/wat | 10.103 | Crippen Calculated Property | |
| McVol | 470.360 | ml/mol | McGowan Calculated Property |
| Pc | 694.71 | kPa | Joback Calculated Property |
| Inp | 3483.00 | NIST | |
| Tboil | 1178.73 | K | Joback Calculated Property |
| Tc | 1473.01 | K | Joback Calculated Property |
| Tfus | 695.88 | K | Joback Calculated Property |
| Vc | 1.819 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1664.17; 1757.63] | J/mol×K | [1178.73; 1473.01] | 
|
| Cp,gas | 1664.17 | J/mol×K | 1178.73 | Joback Calculated Property |
| Cp,gas | 1683.51 | J/mol×K | 1227.78 | Joback Calculated Property |
| Cp,gas | 1701.02 | J/mol×K | 1276.82 | Joback Calculated Property |
| Cp,gas | 1716.94 | J/mol×K | 1325.87 | Joback Calculated Property |
| Cp,gas | 1731.52 | J/mol×K | 1374.92 | Joback Calculated Property |
| Cp,gas | 1745.00 | J/mol×K | 1423.97 | Joback Calculated Property |
| Cp,gas | 1757.63 | J/mol×K | 1473.01 | Joback Calculated Property |
| η | [0.0000046; 0.0000680] | Pa×s | [695.88; 1178.73] |
|
| η | 0.0000680 | Pa×s | 695.88 | Joback Calculated Property |
| η | 0.0000344 | Pa×s | 776.36 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 856.83 | Joback Calculated Property |
| η | 0.0000125 | Pa×s | 937.31 | Joback Calculated Property |
| η | 0.0000085 | Pa×s | 1017.78 | Joback Calculated Property |
| η | 0.0000061 | Pa×s | 1098.26 | Joback Calculated Property |
| η | 0.0000046 | Pa×s | 1178.73 | Joback Calculated Property |
Similar Compounds
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Sources
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