- InChI
- InChI=1S/C21H41BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-24-21(23)18-15-16-19-22/h2-20H2,1H3
- InChI Key
- NXIGXKBOTAEOKV-UHFFFAOYSA-N
- Formula
- C21H41BrO2
- SMILES
- CCCCCCCCCCCCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 405.45
- 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° | -93.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -695.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.93 | kJ/mol | Joback Calculated Property |
| log10WS | -7.91 | Crippen Calculated Property | |
| logPoct/wat | 7.576 | Crippen Calculated Property | |
| McVol | 331.690 | ml/mol | McGowan Calculated Property |
| Pc | 1027.94 | kPa | Joback Calculated Property |
| Inp | [2640.00; 2640.00] |
|
|
| Inp | 2640.00 | NIST | |
| Inp | 2640.00 | NIST | |
| Tboil | 822.33 | K | Joback Calculated Property |
| Tc | 1008.86 | K | Joback Calculated Property |
| Tfus | 458.39 | K | Joback Calculated Property |
| Vc | 1.298 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1024.15; 1123.30] | J/mol×K | [822.33; 1008.86] |
|
| Cp,gas | 1024.15 | J/mol×K | 822.33 | Joback Calculated Property |
| Cp,gas | 1043.09 | J/mol×K | 853.42 | Joback Calculated Property |
| Cp,gas | 1061.01 | J/mol×K | 884.51 | Joback Calculated Property |
| Cp,gas | 1077.96 | J/mol×K | 915.59 | Joback Calculated Property |
| Cp,gas | 1093.96 | J/mol×K | 946.68 | Joback Calculated Property |
| Cp,gas | 1109.06 | J/mol×K | 977.77 | Joback Calculated Property |
| Cp,gas | 1123.30 | J/mol×K | 1008.86 | Joback Calculated Property |
| η | [0.0000504; 0.0008628] | Pa×s | [458.39; 822.33] |
|
| η | 0.0008628 | Pa×s | 458.39 | Joback Calculated Property |
| η | 0.0004077 | Pa×s | 519.05 | Joback Calculated Property |
| η | 0.0002253 | Pa×s | 579.70 | Joback Calculated Property |
| η | 0.0001394 | Pa×s | 640.36 | Joback Calculated Property |
| η | 0.0000937 | Pa×s | 701.02 | Joback Calculated Property |
| η | 0.0000671 | Pa×s | 761.67 | Joback Calculated Property |
| η | 0.0000504 | Pa×s | 822.33 | Joback Calculated Property |
Similar Compounds
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Sources
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