- InChI
- InChI=1S/C18H23BrO4/c1-12(2)11-22-17(20)15-5-3-4-6-16(15)18(21)23-14-9-7-13(19)8-10-14/h7-10,12,15-16H,3-6,11H2,1-2H3
- InChI Key
- ZCSZPBXBYMQQIX-UHFFFAOYSA-N
- Formula
- C18H23BrO4
- SMILES
-
CC(C)COC(=O)C1CCCCC1C(=O)Oc1cc
c(Br)cc1 - Molecular Weight1
- 383.28
- 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° | -235.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -624.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 4.360 | Crippen Calculated Property | |
| McVol | 262.240 | ml/mol | McGowan Calculated Property |
| Pc | 1908.57 | kPa | Joback Calculated Property |
| Inp | 2501.00 | NIST | |
| Tboil | 876.08 | K | Joback Calculated Property |
| Tc | 1112.05 | K | Joback Calculated Property |
| Tfus | 523.82 | K | Joback Calculated Property |
| Vc | 0.972 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [799.83; 868.70] | J/mol×K | [876.08; 1112.05] | 
|
| Cp,gas | 799.83 | J/mol×K | 876.08 | Joback Calculated Property |
| Cp,gas | 815.15 | J/mol×K | 915.41 | Joback Calculated Property |
| Cp,gas | 828.88 | J/mol×K | 954.74 | Joback Calculated Property |
| Cp,gas | 841.07 | J/mol×K | 994.07 | Joback Calculated Property |
| Cp,gas | 851.75 | J/mol×K | 1033.40 | Joback Calculated Property |
| Cp,gas | 860.95 | J/mol×K | 1072.72 | Joback Calculated Property |
| Cp,gas | 868.70 | J/mol×K | 1112.05 | Joback Calculated Property |
| η | [0.0000712; 0.0006711] | Pa×s | [523.82; 876.08] |
|
| η | 0.0006711 | Pa×s | 523.82 | Joback Calculated Property |
| η | 0.0003824 | Pa×s | 582.53 | Joback Calculated Property |
| η | 0.0002415 | Pa×s | 641.24 | Joback Calculated Property |
| η | 0.0001648 | Pa×s | 699.95 | Joback Calculated Property |
| η | 0.0001193 | Pa×s | 758.66 | Joback Calculated Property |
| η | 0.0000904 | Pa×s | 817.37 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 876.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl isobutyl ester.
Sources
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