- InChI
- InChI=1S/C21H31BrO5/c1-2-15-26-20(23)9-7-5-3-4-6-8-10-21(24)27-17-16-25-19-13-11-18(22)12-14-19/h11-14H,2-10,15-17H2,1H3
- InChI Key
- SFUYCLVFQIBUCJ-UHFFFAOYSA-N
- Formula
- C21H31BrO5
- SMILES
-
CCCOC(=O)CCCCCCCCC(=O)OCCOc1cc
c(Br)cc1 - Molecular Weight1
- 443.37
- 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° | -329.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -847.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 55.84 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.43 | kJ/mol | Joback Calculated Property |
| log10WS | -6.34 | Crippen Calculated Property | |
| logPoct/wat | 5.445 | Crippen Calculated Property | |
| McVol | 321.240 | ml/mol | McGowan Calculated Property |
| Pc | 1299.53 | kPa | Joback Calculated Property |
| Inp | [3009.00; 3009.00] |
|
|
| Inp | 3009.00 | NIST | |
| Inp | 3009.00 | NIST | |
| Tboil | 952.70 | K | Joback Calculated Property |
| Tc | 1168.72 | K | Joback Calculated Property |
| Tfus | 591.72 | K | Joback Calculated Property |
| Vc | 1.232 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.68; 1070.12] | J/mol×K | [952.70; 1168.72] |
|
| Cp,gas | 1005.68 | J/mol×K | 952.70 | Joback Calculated Property |
| Cp,gas | 1019.67 | J/mol×K | 988.70 | Joback Calculated Property |
| Cp,gas | 1032.32 | J/mol×K | 1024.71 | Joback Calculated Property |
| Cp,gas | 1043.67 | J/mol×K | 1060.71 | Joback Calculated Property |
| Cp,gas | 1053.73 | J/mol×K | 1096.71 | Joback Calculated Property |
| Cp,gas | 1062.54 | J/mol×K | 1132.72 | Joback Calculated Property |
| Cp,gas | 1070.12 | J/mol×K | 1168.72 | Joback Calculated Property |
| η | [0.0000272; 0.0002421] | Pa×s | [591.72; 952.70] |
|
| η | 0.0002421 | Pa×s | 591.72 | Joback Calculated Property |
| η | 0.0001422 | Pa×s | 651.88 | Joback Calculated Property |
| η | 0.0000914 | Pa×s | 712.05 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 772.21 | Joback Calculated Property |
| η | 0.0000457 | Pa×s | 832.37 | Joback Calculated Property |
| η | 0.0000347 | Pa×s | 892.54 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 952.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 2-(4-bromophenoxy)ethyl propyl ester.
Sources
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