- InChI
- InChI=1S/C18H25BrO4/c1-4-7-11-22-16(20)18(5-2,6-3)17(21)23-13-14-9-8-10-15(19)12-14/h8-10,12H,4-7,11,13H2,1-3H3
- InChI Key
- QSXDWOLBYLYXKH-UHFFFAOYSA-N
- Formula
- C18H25BrO4
- SMILES
-
CCCCOC(=O)C(CC)(CC)C(=O)OCc1cc
cc(Br)c1 - Molecular Weight1
- 385.29
- 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° | -247.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -661.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.05 | kJ/mol | Joback Calculated Property |
| log10WS | -5.60 | Crippen Calculated Property | |
| logPoct/wat | 4.642 | Crippen Calculated Property | |
| McVol | 273.100 | ml/mol | McGowan Calculated Property |
| Pc | 1665.97 | kPa | Joback Calculated Property |
| Inp | 2254.00 | NIST | |
| Tboil | 858.41 | K | Joback Calculated Property |
| Tc | 1075.21 | K | Joback Calculated Property |
| Tfus | 538.10 | K | Joback Calculated Property |
| Vc | 1.034 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [802.37; 872.30] | J/mol×K | [858.41; 1075.21] | 
|
| Cp,gas | 802.37 | J/mol×K | 858.41 | Joback Calculated Property |
| Cp,gas | 816.56 | J/mol×K | 894.54 | Joback Calculated Property |
| Cp,gas | 829.67 | J/mol×K | 930.68 | Joback Calculated Property |
| Cp,gas | 841.75 | J/mol×K | 966.81 | Joback Calculated Property |
| Cp,gas | 852.84 | J/mol×K | 1002.94 | Joback Calculated Property |
| Cp,gas | 863.01 | J/mol×K | 1039.08 | Joback Calculated Property |
| Cp,gas | 872.30 | J/mol×K | 1075.21 | Joback Calculated Property |
| η | [0.0000454; 0.0004319] | Pa×s | [538.10; 858.41] |
|
| η | 0.0004319 | Pa×s | 538.10 | Joback Calculated Property |
| η | 0.0002504 | Pa×s | 591.49 | Joback Calculated Property |
| η | 0.0001589 | Pa×s | 644.87 | Joback Calculated Property |
| η | 0.0001081 | Pa×s | 698.25 | Joback Calculated Property |
| η | 0.0000777 | Pa×s | 751.64 | Joback Calculated Property |
| η | 0.0000583 | Pa×s | 805.02 | Joback Calculated Property |
| η | 0.0000454 | Pa×s | 858.41 | Joback Calculated Property |
Similar Compounds
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Sources
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