- InChI
- InChI=1S/C26H41BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-30-25(28)19-16-20-26(29)31-22-23-17-13-14-18-24(23)27/h13-14,17-18H,2-12,15-16,19-22H2,1H3
- InChI Key
- ZSRAECVKZZPJGX-UHFFFAOYSA-N
- Formula
- C26H41BrO4
- SMILES
-
CCCCCCCCCCCCCCOC(=O)CCCC(=O)OC
c1ccccc1Br - Molecular Weight1
- 497.50
- 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° | -182.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -818.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 67.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.15 | kJ/mol | Joback Calculated Property |
| log10WS | -9.19 | Crippen Calculated Property | |
| logPoct/wat | 7.907 | Crippen Calculated Property | |
| McVol | 385.820 | ml/mol | McGowan Calculated Property |
| Pc | 954.37 | kPa | Joback Calculated Property |
| Inp | [3398.00; 3398.00] |
|
|
| Inp | 3398.00 | NIST | |
| Inp | 3398.00 | NIST | |
| Tboil | 1044.68 | K | Joback Calculated Property |
| Tc | 1281.15 | K | Joback Calculated Property |
| Tfus | 625.84 | K | Joback Calculated Property |
| Vc | 1.494 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1283.30; 1357.32] | J/mol×K | [1044.68; 1281.15] |
|
| Cp,gas | 1283.30 | J/mol×K | 1044.68 | Joback Calculated Property |
| Cp,gas | 1299.27 | J/mol×K | 1084.09 | Joback Calculated Property |
| Cp,gas | 1313.68 | J/mol×K | 1123.50 | Joback Calculated Property |
| Cp,gas | 1326.62 | J/mol×K | 1162.92 | Joback Calculated Property |
| Cp,gas | 1338.15 | J/mol×K | 1202.33 | Joback Calculated Property |
| Cp,gas | 1348.36 | J/mol×K | 1241.74 | Joback Calculated Property |
| Cp,gas | 1357.32 | J/mol×K | 1281.15 | Joback Calculated Property |
| η | [0.0000169; 0.0001884] | Pa×s | [625.84; 1044.68] |
|
| η | 0.0001884 | Pa×s | 625.84 | Joback Calculated Property |
| η | 0.0001030 | Pa×s | 695.65 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 765.45 | Joback Calculated Property |
| η | 0.0000417 | Pa×s | 835.26 | Joback Calculated Property |
| η | 0.0000295 | Pa×s | 905.07 | Joback Calculated Property |
| η | 0.0000219 | Pa×s | 974.87 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 1044.68 | Joback Calculated Property |
Similar Compounds
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Sources
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