- InChI
- InChI=1S/C20H39BrO2/c1-3-5-7-8-9-10-11-12-16-19(15-6-4-2)23-20(22)17-13-14-18-21/h19H,3-18H2,1-2H3
- InChI Key
- PBIGTFMPDRIPBW-UHFFFAOYSA-N
- Formula
- C20H39BrO2
- SMILES
- CCCCCCCCCCC(CCCC)OC(=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° | -104.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -679.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.10 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 75.32 | kJ/mol | Joback Calculated Property |
| log10WS | -7.60 | Crippen Calculated Property | |
| logPoct/wat | 7.184 | Crippen Calculated Property | |
| McVol | 317.600 | ml/mol | McGowan Calculated Property |
| Pc | 1100.08 | kPa | Joback Calculated Property |
| Inp | [2358.00; 2358.00] |
|
|
| Inp | 2358.00 | NIST | |
| Inp | 2358.00 | NIST | |
| Tboil | 799.01 | K | Joback Calculated Property |
| Tc | 983.68 | K | Joback Calculated Property |
| Tfus | 432.12 | K | Joback Calculated Property |
| Vc | 1.236 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [963.67; 1061.18] | J/mol×K | [799.01; 983.68] |
|
| Cp,gas | 963.67 | J/mol×K | 799.01 | Joback Calculated Property |
| Cp,gas | 982.27 | J/mol×K | 829.79 | Joback Calculated Property |
| Cp,gas | 999.88 | J/mol×K | 860.57 | Joback Calculated Property |
| Cp,gas | 1016.54 | J/mol×K | 891.35 | Joback Calculated Property |
| Cp,gas | 1032.29 | J/mol×K | 922.13 | Joback Calculated Property |
| Cp,gas | 1047.16 | J/mol×K | 952.90 | Joback Calculated Property |
| Cp,gas | 1061.18 | J/mol×K | 983.68 | Joback Calculated Property |
| η | [0.0000538; 0.0011524] | Pa×s | [432.12; 799.01] |
|
| η | 0.0011524 | Pa×s | 432.12 | Joback Calculated Property |
| η | 0.0005038 | Pa×s | 493.27 | Joback Calculated Property |
| η | 0.0002643 | Pa×s | 554.42 | Joback Calculated Property |
| η | 0.0001576 | Pa×s | 615.57 | Joback Calculated Property |
| η | 0.0001032 | Pa×s | 676.71 | Joback Calculated Property |
| η | 0.0000725 | Pa×s | 737.86 | Joback Calculated Property |
| η | 0.0000538 | Pa×s | 799.01 | Joback Calculated Property |
Similar Compounds
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Sources
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