- InChI
- InChI=1S/C20H29BrO4/c1-16(2)15-24-19(22)9-7-5-3-4-6-8-10-20(23)25-18-13-11-17(21)12-14-18/h11-14,16H,3-10,15H2,1-2H3
- InChI Key
- FOJSGXBBOCGGKL-UHFFFAOYSA-N
- Formula
- C20H29BrO4
- SMILES
-
CC(C)COC(=O)CCCCCCCCC(=O)Oc1cc
c(Br)cc1 - Molecular Weight1
- 413.35
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -837.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 106.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.50 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 5.675 | Crippen Calculated Property | |
| McVol | 301.280 | ml/mol | McGowan Calculated Property |
| Pc | 1336.86 | kPa | Joback Calculated Property |
| Inp | 2823.00 | NIST | |
| Tboil | 663.68 | K | Relay (1.0) Calculated Property |
| Tc | 863.01 | K | Relay (1.0) Calculated Property |
| Tfus | 325.21 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [906.87; 977.19] | J/mol×K | [871.02; 1078.77] | 
|
| Cp,gas | 906.87 | J/mol×K | 871.02 | Joback Calculated Property |
| Cp,gas | 921.56 | J/mol×K | 905.65 | Joback Calculated Property |
| Cp,gas | 935.00 | J/mol×K | 940.27 | Joback Calculated Property |
| Cp,gas | 947.26 | J/mol×K | 974.90 | Joback Calculated Property |
| Cp,gas | 958.35 | J/mol×K | 1009.52 | Joback Calculated Property |
| Cp,gas | 968.31 | J/mol×K | 1044.15 | Joback Calculated Property |
| Cp,gas | 977.19 | J/mol×K | 1078.77 | Joback Calculated Property |
| η | [0.0000301; 0.0006142] | Pa×s | [483.56; 871.02] |
|
| η | 0.0006142 | Pa×s | 483.56 | Joback Calculated Property |
| η | 0.0002764 | Pa×s | 548.14 | Joback Calculated Property |
| η | 0.0001472 | Pa×s | 612.71 | Joback Calculated Property |
| η | 0.0000884 | Pa×s | 677.29 | Joback Calculated Property |
| η | 0.0000580 | Pa×s | 741.87 | Joback Calculated Property |
| η | 0.0000407 | Pa×s | 806.44 | Joback Calculated Property |
| η | 0.0000301 | Pa×s | 871.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Sebacic acid, 4-bromophenyl isobutyl ester.
Sources
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