- InChI
- InChI=1S/C27H43BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-20-31-25(29)27(5-2,6-3)26(30)32-22-23-18-17-19-24(28)21-23/h17-19,21H,4-16,20,22H2,1-3H3
- InChI Key
- WJGDAYOKFGPKED-UHFFFAOYSA-N
- Formula
- C27H43BrO4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C(CC)(CC)C(
=O)OCc1cccc(Br)c1 - Molecular Weight1
- 511.53
- 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° | -171.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -847.57 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 62.78 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.08 | kJ/mol | Joback Calculated Property |
| log10WS | -9.37 | Crippen Calculated Property | |
| logPoct/wat | 8.153 | Crippen Calculated Property | |
| McVol | 399.910 | ml/mol | McGowan Calculated Property |
| Pc | 910.53 | kPa | Joback Calculated Property |
| Inp | [3102.00; 3102.00] |
|
|
| Inp | 3102.00 | NIST | |
| Inp | 3102.00 | NIST | |
| Tboil | 1064.33 | K | Joback Calculated Property |
| Tc | 1304.92 | K | Joback Calculated Property |
| Tfus | 639.53 | K | Joback Calculated Property |
| Vc | 1.538 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1345.92; 1425.98] | J/mol×K | [1064.33; 1304.92] |
|
| Cp,gas | 1345.92 | J/mol×K | 1064.33 | Joback Calculated Property |
| Cp,gas | 1362.39 | J/mol×K | 1104.43 | Joback Calculated Property |
| Cp,gas | 1377.46 | J/mol×K | 1144.53 | Joback Calculated Property |
| Cp,gas | 1391.24 | J/mol×K | 1184.62 | Joback Calculated Property |
| Cp,gas | 1403.85 | J/mol×K | 1224.72 | Joback Calculated Property |
| Cp,gas | 1415.39 | J/mol×K | 1264.82 | Joback Calculated Property |
| Cp,gas | 1425.98 | J/mol×K | 1304.92 | Joback Calculated Property |
| η | [0.0000107; 0.0001381] | Pa×s | [639.53; 1064.33] |
|
| η | 0.0001381 | Pa×s | 639.53 | Joback Calculated Property |
| η | 0.0000729 | Pa×s | 710.33 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 781.13 | Joback Calculated Property |
| η | 0.0000280 | Pa×s | 851.93 | Joback Calculated Property |
| η | 0.0000193 | Pa×s | 922.73 | Joback Calculated Property |
| η | 0.0000141 | Pa×s | 993.53 | Joback Calculated Property |
| η | 0.0000107 | Pa×s | 1064.33 | Joback Calculated Property |
Similar Compounds
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Sources
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