- InChI
- InChI=1S/C22H33BrO4/c1-18(2)10-9-17-26-21(24)11-7-5-3-4-6-8-12-22(25)27-20-15-13-19(23)14-16-20/h13-16,18H,3-12,17H2,1-2H3
- InChI Key
- XHEDREBGWADVTJ-UHFFFAOYSA-N
- Formula
- C22H33BrO4
- SMILES
-
CC(C)CCCOC(=O)CCCCCCCCC(=O)Oc1
ccc(Br)cc1 - Molecular Weight1
- 441.40
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0645 | Relay (... Calculated Property | |
| ΔfG° | -218.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -882.61 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 53.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 112.78 | kJ/mol | Relay (... Calculated Property |
| IE | 8.45 | eV | Relay (... Calculated Property |
| log10WS | -6.67 | Relay (... Calculated Property | |
| logPoct/wat | 6.455 | Crippen Calculated Property | |
| McVol | 329.460 | ml/mol | McGowan Calculated Property |
| Pc | 1235.48 | kPa | Joback Calculated Property |
| Inp | 3061.00 | NIST | |
| Tboil | 678.33 | K | Relay (... Calculated Property |
| Tc | 876.45 | K | Relay (... Calculated Property |
| Tfus | 325.02 | K | Relay (... Calculated Property |
| Vc | 1.204 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1038.17; 1109.38] | J/mol×K | [952.72; 1169.39] | 
|
| Cp,gas | 1038.17 | J/mol×K | 952.72 | Joback Calculated Property |
| Cp,gas | 1053.06 | J/mol×K | 988.83 | Joback Calculated Property |
| Cp,gas | 1066.69 | J/mol×K | 1024.94 | Joback Calculated Property |
| Cp,gas | 1079.08 | J/mol×K | 1061.05 | Joback Calculated Property |
| Cp,gas | 1090.30 | J/mol×K | 1097.16 | Joback Calculated Property |
| Cp,gas | 1100.39 | J/mol×K | 1133.28 | Joback Calculated Property |
| Cp,gas | 1109.38 | J/mol×K | 1169.39 | Joback Calculated Property |
| η | [0.0000289; 0.0003371] | Pa×s | [565.76; 952.72] |
|
| η | 0.0003371 | Pa×s | 565.76 | Joback Calculated Property |
| η | 0.0001815 | Pa×s | 630.25 | Joback Calculated Property |
| η | 0.0001096 | Pa×s | 694.75 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 759.24 | Joback Calculated Property |
| η | 0.0000507 | Pa×s | 823.73 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 888.23 | Joback Calculated Property |
| η | 0.0000289 | Pa×s | 952.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-bromophenyl isohexyl ester.
Sources
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