- InChI
- InChI=1S/C22H25BrO4/c1-2-3-4-5-6-14-26-21(24)18-10-12-19(13-11-18)22(25)27-16-17-8-7-9-20(23)15-17/h7-13,15H,2-6,14,16H2,1H3
- InChI Key
- QDLWXRPCXLKUEG-UHFFFAOYSA-N
- Formula
- C22H25BrO4
- SMILES
-
CCCCCCCOC(=O)c1ccc(C(=O)OCc2cc
cc(Br)c2)cc1 - Molecular Weight1
- 433.34
- 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° | -113.60 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -510.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 95.19 | kJ/mol | Joback Calculated Property |
| log10WS | -7.74 | Crippen Calculated Property | |
| logPoct/wat | 5.933 | Crippen Calculated Property | |
| McVol | 305.700 | ml/mol | McGowan Calculated Property |
| Pc | 1553.67 | kPa | Joback Calculated Property |
| Inp | [3517.00; 3517.00] |
|
|
| Inp | 3517.00 | NIST | |
| Inp | 3517.00 | NIST | |
| Tboil | 984.82 | K | Joback Calculated Property |
| Tc | 1217.88 | K | Joback Calculated Property |
| Tfus | 619.70 | K | Joback Calculated Property |
| Vc | 1.161 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [930.34; 986.02] | J/mol×K | [984.82; 1217.88] |
|
| Cp,gas | 930.34 | J/mol×K | 984.82 | Joback Calculated Property |
| Cp,gas | 942.66 | J/mol×K | 1023.66 | Joback Calculated Property |
| Cp,gas | 953.69 | J/mol×K | 1062.51 | Joback Calculated Property |
| Cp,gas | 963.48 | J/mol×K | 1101.35 | Joback Calculated Property |
| Cp,gas | 972.10 | J/mol×K | 1140.19 | Joback Calculated Property |
| Cp,gas | 979.60 | J/mol×K | 1179.04 | Joback Calculated Property |
| Cp,gas | 986.02 | J/mol×K | 1217.88 | Joback Calculated Property |
| η | [0.0000336; 0.0002520] | Pa×s | [619.70; 984.82] |
|
| η | 0.0002520 | Pa×s | 619.70 | Joback Calculated Property |
| η | 0.0001550 | Pa×s | 680.55 | Joback Calculated Property |
| η | 0.0001033 | Pa×s | 741.41 | Joback Calculated Property |
| η | 0.0000732 | Pa×s | 802.26 | Joback Calculated Property |
| η | 0.0000544 | Pa×s | 863.11 | Joback Calculated Property |
| η | 0.0000421 | Pa×s | 923.97 | Joback Calculated Property |
| η | 0.0000336 | Pa×s | 984.82 | Joback Calculated Property |
Similar Compounds
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Sources
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