- InChI
- InChI=1S/C20H29BrO4/c1-2-3-4-5-6-7-10-15-24-19(22)13-14-20(23)25-16-17-11-8-9-12-18(17)21/h8-9,11-12H,2-7,10,13-16H2,1H3
- InChI Key
- KFYATYJUOAGNQW-UHFFFAOYSA-N
- Formula
- C20H29BrO4
- SMILES
-
CCCCCCCCCOC(=O)CCC(=O)OCc1cccc
c1Br - Molecular Weight1
- 413.35
- 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° | -233.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.80 | kJ/mol | Joback Calculated Property |
| log10WS | -6.68 | Crippen Calculated Property | |
| logPoct/wat | 5.566 | Crippen Calculated Property | |
| McVol | 301.280 | ml/mol | McGowan Calculated Property |
| Pc | 1412.25 | kPa | Joback Calculated Property |
| Inp | [2732.00; 2732.00] |
|
|
| Inp | 2732.00 | NIST | |
| Inp | 2732.00 | NIST | |
| Tboil | 907.40 | K | Joback Calculated Property |
| Tc | 1118.87 | K | Joback Calculated Property |
| Tfus | 558.22 | K | Joback Calculated Property |
| Vc | 1.157 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [918.16; 988.36] | J/mol×K | [907.40; 1118.87] |
|
| Cp,gas | 918.16 | J/mol×K | 907.40 | Joback Calculated Property |
| Cp,gas | 932.61 | J/mol×K | 942.64 | Joback Calculated Property |
| Cp,gas | 945.91 | J/mol×K | 977.89 | Joback Calculated Property |
| Cp,gas | 958.11 | J/mol×K | 1013.13 | Joback Calculated Property |
| Cp,gas | 969.22 | J/mol×K | 1048.38 | Joback Calculated Property |
| Cp,gas | 979.30 | J/mol×K | 1083.62 | Joback Calculated Property |
| Cp,gas | 988.36 | J/mol×K | 1118.87 | Joback Calculated Property |
| η | [0.0000429; 0.0003888] | Pa×s | [558.22; 907.40] |
|
| η | 0.0003888 | Pa×s | 558.22 | Joback Calculated Property |
| η | 0.0002264 | Pa×s | 616.42 | Joback Calculated Property |
| η | 0.0001448 | Pa×s | 674.61 | Joback Calculated Property |
| η | 0.0000994 | Pa×s | 732.81 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 791.01 | Joback Calculated Property |
| η | 0.0000546 | Pa×s | 849.20 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 907.40 | Joback Calculated Property |
Similar Compounds
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Sources
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