- InChI
- InChI=1S/C16H21BrO4/c1-2-3-4-10-20-15(18)8-9-16(19)21-12-13-6-5-7-14(17)11-13/h5-7,11H,2-4,8-10,12H2,1H3
- InChI Key
- YHUJPDCCXCOXLN-UHFFFAOYSA-N
- Formula
- C16H21BrO4
- SMILES
-
CCCCCOC(=O)CCC(=O)OCc1cccc(Br)
c1 - Molecular Weight1
- 357.24
- 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° | -266.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.01 | Crippen Calculated Property | |
| logPoct/wat | 4.006 | Crippen Calculated Property | |
| McVol | 244.920 | ml/mol | McGowan Calculated Property |
| Pc | 1928.74 | kPa | Joback Calculated Property |
| Inp | [2327.00; 2327.00] |
|
|
| Inp | 2327.00 | NIST | |
| Inp | 2327.00 | NIST | |
| Tboil | 815.88 | K | Joback Calculated Property |
| Tc | 1027.86 | K | Joback Calculated Property |
| Tfus | 513.14 | K | Joback Calculated Property |
| Vc | 0.933 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [687.61; 754.13] | J/mol×K | [815.88; 1027.86] |
|
| Cp,gas | 687.61 | J/mol×K | 815.88 | Joback Calculated Property |
| Cp,gas | 701.14 | J/mol×K | 851.21 | Joback Calculated Property |
| Cp,gas | 713.65 | J/mol×K | 886.54 | Joback Calculated Property |
| Cp,gas | 725.19 | J/mol×K | 921.87 | Joback Calculated Property |
| Cp,gas | 735.77 | J/mol×K | 957.20 | Joback Calculated Property |
| Cp,gas | 745.41 | J/mol×K | 992.53 | Joback Calculated Property |
| Cp,gas | 754.13 | J/mol×K | 1027.86 | Joback Calculated Property |
| η | [0.0000769; 0.0005914] | Pa×s | [513.14; 815.88] |
|
| η | 0.0005914 | Pa×s | 513.14 | Joback Calculated Property |
| η | 0.0003615 | Pa×s | 563.60 | Joback Calculated Property |
| η | 0.0002396 | Pa×s | 614.05 | Joback Calculated Property |
| η | 0.0001691 | Pa×s | 664.51 | Joback Calculated Property |
| η | 0.0001253 | Pa×s | 714.97 | Joback Calculated Property |
| η | 0.0000966 | Pa×s | 765.42 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 815.88 | Joback Calculated Property |
Similar Compounds
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Sources
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