- InChI
- InChI=1S/C31H51BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-35-29(33)31(5-2,6-3)30(34)36-26-27-22-21-23-28(32)25-27/h21-23,25H,4-20,24,26H2,1-3H3
- InChI Key
- XLCSAMJTIDVYLL-UHFFFAOYSA-N
- Formula
- C31H51BrO4
- SMILES
-
CCCCCCCCCCCCCCCCCOC(=O)C(CC)(C
C)C(=O)OCc1cccc(Br)c1 - Molecular Weight1
- 567.64
- 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° | -137.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -930.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 73.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 110.99 | kJ/mol | Joback Calculated Property |
| log10WS | -11.04 | Crippen Calculated Property | |
| logPoct/wat | 9.713 | Crippen Calculated Property | |
| McVol | 456.270 | ml/mol | McGowan Calculated Property |
| Pc | 731.25 | kPa | Joback Calculated Property |
| Inp | [3376.00; 3376.00] |
|
|
| Inp | 3376.00 | NIST | |
| Inp | 3376.00 | NIST | |
| Tboil | 1155.85 | K | Joback Calculated Property |
| Tc | 1436.32 | K | Joback Calculated Property |
| Tfus | 684.61 | K | Joback Calculated Property |
| Vc | 1.762 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1599.86; 1689.68] | J/mol×K | [1155.85; 1436.32] |
|
| Cp,gas | 1599.86 | J/mol×K | 1155.85 | Joback Calculated Property |
| Cp,gas | 1618.47 | J/mol×K | 1202.60 | Joback Calculated Property |
| Cp,gas | 1635.35 | J/mol×K | 1249.34 | Joback Calculated Property |
| Cp,gas | 1650.70 | J/mol×K | 1296.09 | Joback Calculated Property |
| Cp,gas | 1664.74 | J/mol×K | 1342.83 | Joback Calculated Property |
| Cp,gas | 1677.66 | J/mol×K | 1389.58 | Joback Calculated Property |
| Cp,gas | 1689.68 | J/mol×K | 1436.32 | Joback Calculated Property |
| η | [0.0000055; 0.0000786] | Pa×s | [684.61; 1155.85] |
|
| η | 0.0000786 | Pa×s | 684.61 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 763.15 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 841.69 | Joback Calculated Property |
| η | 0.0000147 | Pa×s | 920.23 | Joback Calculated Property |
| η | 0.0000101 | Pa×s | 998.77 | Joback Calculated Property |
| η | 0.0000073 | Pa×s | 1077.31 | Joback Calculated Property |
| η | 0.0000055 | Pa×s | 1155.85 | Joback Calculated Property |
Similar Compounds
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Sources
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