- InChI
- InChI=1S/C20H39BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-23-20(22)17-14-15-18-21/h2-19H2,1H3
- InChI Key
- XUJOLDAHEPWFMY-UHFFFAOYSA-N
- Formula
- C20H39BrO2
- SMILES
- CCCCCCCCCCCCCCCOC(=O)CCCCBr
- Molecular Weight1
- 391.43
- 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° | -102.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -674.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.70 | kJ/mol | Joback Calculated Property |
| log10WS | -7.49 | Crippen Calculated Property | |
| logPoct/wat | 7.186 | Crippen Calculated Property | |
| McVol | 317.600 | ml/mol | McGowan Calculated Property |
| Pc | 1094.27 | kPa | Joback Calculated Property |
| Inp | [2547.20; 2547.20] |
|
|
| Inp | 2547.20 | NIST | |
| Inp | 2547.20 | NIST | |
| Tboil | 799.45 | K | Joback Calculated Property |
| Tc | 983.10 | K | Joback Calculated Property |
| Tfus | 447.12 | K | Joback Calculated Property |
| Vc | 1.242 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.19; 1060.35] | J/mol×K | [799.45; 983.10] |
|
| Cp,gas | 963.19 | J/mol×K | 799.45 | Joback Calculated Property |
| Cp,gas | 981.68 | J/mol×K | 830.06 | Joback Calculated Property |
| Cp,gas | 999.21 | J/mol×K | 860.67 | Joback Calculated Property |
| Cp,gas | 1015.81 | J/mol×K | 891.27 | Joback Calculated Property |
| Cp,gas | 1031.51 | J/mol×K | 921.88 | Joback Calculated Property |
| Cp,gas | 1046.34 | J/mol×K | 952.49 | Joback Calculated Property |
| Cp,gas | 1060.35 | J/mol×K | 983.10 | Joback Calculated Property |
| η | [0.0000585; 0.0009678] | Pa×s | [447.12; 799.45] |
|
| η | 0.0009678 | Pa×s | 447.12 | Joback Calculated Property |
| η | 0.0004622 | Pa×s | 505.84 | Joback Calculated Property |
| η | 0.0002574 | Pa×s | 564.56 | Joback Calculated Property |
| η | 0.0001601 | Pa×s | 623.28 | Joback Calculated Property |
| η | 0.0001080 | Pa×s | 682.01 | Joback Calculated Property |
| η | 0.0000776 | Pa×s | 740.73 | Joback Calculated Property |
| η | 0.0000585 | Pa×s | 799.45 | Joback Calculated Property |
Similar Compounds
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Sources
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