- InChI
- InChI=1S/C20H27BrO4/c1-14(2)6-5-13-24-19(22)17-7-3-4-8-18(17)20(23)25-16-11-9-15(21)10-12-16/h9-12,14,17-18H,3-8,13H2,1-2H3
- InChI Key
- WPSGAXINKIMSBJ-UHFFFAOYSA-N
- Formula
- C20H27BrO4
- SMILES
-
CC(C)CCCOC(=O)C1CCCCC1C(=O)Oc1
ccc(Br)cc1 - Molecular Weight1
- 411.33
- 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° | -218.92 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -665.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 87.53 | kJ/mol | Joback Calculated Property |
| log10WS | -6.00 | Crippen Calculated Property | |
| logPoct/wat | 5.140 | Crippen Calculated Property | |
| McVol | 290.420 | ml/mol | McGowan Calculated Property |
| Pc | 1624.60 | kPa | Joback Calculated Property |
| Inp | [2695.00; 2695.00] |
|
|
| Inp | 2695.00 | NIST | |
| Inp | 2695.00 | NIST | |
| Tboil | 921.84 | K | Joback Calculated Property |
| Tc | 1153.38 | K | Joback Calculated Property |
| Tfus | 546.36 | K | Joback Calculated Property |
| Vc | 1.083 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [917.02; 984.42] | J/mol×K | [921.84; 1153.38] |
|
| Cp,gas | 917.02 | J/mol×K | 921.84 | Joback Calculated Property |
| Cp,gas | 932.13 | J/mol×K | 960.43 | Joback Calculated Property |
| Cp,gas | 945.64 | J/mol×K | 999.02 | Joback Calculated Property |
| Cp,gas | 957.58 | J/mol×K | 1037.61 | Joback Calculated Property |
| Cp,gas | 968.00 | J/mol×K | 1076.20 | Joback Calculated Property |
| Cp,gas | 976.94 | J/mol×K | 1114.79 | Joback Calculated Property |
| Cp,gas | 984.42 | J/mol×K | 1153.38 | Joback Calculated Property |
| η | [0.0000533; 0.0005424] | Pa×s | [546.36; 921.84] |
|
| η | 0.0005424 | Pa×s | 546.36 | Joback Calculated Property |
| η | 0.0003021 | Pa×s | 608.94 | Joback Calculated Property |
| η | 0.0001876 | Pa×s | 671.52 | Joback Calculated Property |
| η | 0.0001264 | Pa×s | 734.10 | Joback Calculated Property |
| η | 0.0000906 | Pa×s | 796.68 | Joback Calculated Property |
| η | 0.0000682 | Pa×s | 859.26 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 921.84 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isohexyl ester.
Sources
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