- InChI
- InChI=1S/C19H27BrO4/c1-4-8-17(14(2)3)24-19(22)12-7-11-18(21)23-13-15-9-5-6-10-16(15)20/h5-6,9-10,14,17H,4,7-8,11-13H2,1-3H3
- InChI Key
- GXQZLNLMMRITSC-UHFFFAOYSA-N
- Formula
- C19H27BrO4
- SMILES
-
CCCC(OC(=O)CCCC(=O)OCc1ccccc1B
r)C(C)C - Molecular Weight1
- 399.32
- 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° | -246.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -684.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.13 | Crippen Calculated Property | |
| logPoct/wat | 5.030 | Crippen Calculated Property | |
| McVol | 287.190 | ml/mol | McGowan Calculated Property |
| Pc | 1539.08 | kPa | Joback Calculated Property |
| Inp | [2511.00; 2511.00] |
|
|
| Inp | 2511.00 | NIST | |
| Inp | 2511.00 | NIST | |
| Tboil | 883.64 | K | Joback Calculated Property |
| Tc | 1098.00 | K | Joback Calculated Property |
| Tfus | 516.95 | K | Joback Calculated Property |
| Vc | 1.089 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [860.39; 930.14] | J/mol×K | [883.64; 1098.00] |
|
| Cp,gas | 860.39 | J/mol×K | 883.64 | Joback Calculated Property |
| Cp,gas | 874.83 | J/mol×K | 919.37 | Joback Calculated Property |
| Cp,gas | 888.10 | J/mol×K | 955.09 | Joback Calculated Property |
| Cp,gas | 900.24 | J/mol×K | 990.82 | Joback Calculated Property |
| Cp,gas | 911.27 | J/mol×K | 1026.55 | Joback Calculated Property |
| Cp,gas | 921.22 | J/mol×K | 1062.27 | Joback Calculated Property |
| Cp,gas | 930.14 | J/mol×K | 1098.00 | Joback Calculated Property |
| η | [0.0000417; 0.0005344] | Pa×s | [516.95; 883.64] |
|
| η | 0.0005344 | Pa×s | 516.95 | Joback Calculated Property |
| η | 0.0002789 | Pa×s | 578.07 | Joback Calculated Property |
| η | 0.0001649 | Pa×s | 639.18 | Joback Calculated Property |
| η | 0.0001068 | Pa×s | 700.30 | Joback Calculated Property |
| η | 0.0000742 | Pa×s | 761.41 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 822.52 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 883.64 | Joback Calculated Property |
Similar Compounds
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Sources
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