- InChI
- InChI=1S/C21H38Br2O4/c22-16-9-5-1-3-7-11-18-26-20(24)14-13-15-21(25)27-19-12-8-4-2-6-10-17-23/h1-19H2
- InChI Key
- VOONSKXYGYYGGU-UHFFFAOYSA-N
- Formula
- C21H38Br2O4
- SMILES
-
O=C(CCCC(=O)OCCCCCCCCBr)OCCCCC
CCCBr - Molecular Weight1
- 514.33
- 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° | -313.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -913.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 66.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 93.52 | kJ/mol | Joback Calculated Property |
| log10WS | -7.20 | Crippen Calculated Property | |
| logPoct/wat | 6.714 | Crippen Calculated Property | |
| McVol | 356.630 | ml/mol | McGowan Calculated Property |
| Pc | 1108.15 | kPa | Joback Calculated Property |
| Inp | 3356.00 | NIST | |
| Tboil | 964.78 | K | Joback Calculated Property |
| Tc | 1181.40 | K | Joback Calculated Property |
| Tfus | 590.35 | K | Joback Calculated Property |
| Vc | 1.383 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1120.32; 1199.07] | J/mol×K | [964.78; 1181.40] | 
|
| Cp,gas | 1120.32 | J/mol×K | 964.78 | Joback Calculated Property |
| Cp,gas | 1136.30 | J/mol×K | 1000.88 | Joback Calculated Property |
| Cp,gas | 1151.07 | J/mol×K | 1036.99 | Joback Calculated Property |
| Cp,gas | 1164.68 | J/mol×K | 1073.09 | Joback Calculated Property |
| Cp,gas | 1177.18 | J/mol×K | 1109.19 | Joback Calculated Property |
| Cp,gas | 1188.63 | J/mol×K | 1145.30 | Joback Calculated Property |
| Cp,gas | 1199.07 | J/mol×K | 1181.40 | Joback Calculated Property |
| η | [0.0000259; 0.0002746] | Pa×s | [590.35; 964.78] |
|
| η | 0.0002746 | Pa×s | 590.35 | Joback Calculated Property |
| η | 0.0001534 | Pa×s | 652.75 | Joback Calculated Property |
| η | 0.0000949 | Pa×s | 715.16 | Joback Calculated Property |
| η | 0.0000634 | Pa×s | 777.57 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 839.97 | Joback Calculated Property |
| η | 0.0000335 | Pa×s | 902.38 | Joback Calculated Property |
| η | 0.0000259 | Pa×s | 964.78 | Joback Calculated Property |
Similar Compounds
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Sources
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