- InChI
- InChI=1S/C23H33BrO4/c1-2-3-4-5-6-7-10-17-27-22(25)20-11-8-9-12-21(20)23(26)28-19-15-13-18(24)14-16-19/h13-16,20-21H,2-12,17H2,1H3
- InChI Key
- AOEGNDJRHKSQKR-UHFFFAOYSA-N
- Formula
- C23H33BrO4
- SMILES
-
CCCCCCCCCOC(=O)C1CCCCC1C(=O)Oc
1ccc(Br)cc1 - Molecular Weight1
- 453.41
- 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° | -191.22 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -722.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.60 | kJ/mol | Joback Calculated Property |
| log10WS | -7.50 | Crippen Calculated Property | |
| logPoct/wat | 6.455 | Crippen Calculated Property | |
| McVol | 332.690 | ml/mol | McGowan Calculated Property |
| Pc | 1296.73 | kPa | Joback Calculated Property |
| Inp | 3056.00 | NIST | |
| Tboil | 990.92 | K | Joback Calculated Property |
| Tc | 1220.17 | K | Joback Calculated Property |
| Tfus | 595.17 | K | Joback Calculated Property |
| Vc | 1.258 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1096.55; 1161.11] | J/mol×K | [990.92; 1220.17] | 
|
| Cp,gas | 1096.55 | J/mol×K | 990.92 | Joback Calculated Property |
| Cp,gas | 1111.26 | J/mol×K | 1029.13 | Joback Calculated Property |
| Cp,gas | 1124.31 | J/mol×K | 1067.34 | Joback Calculated Property |
| Cp,gas | 1135.78 | J/mol×K | 1105.55 | Joback Calculated Property |
| Cp,gas | 1145.70 | J/mol×K | 1143.76 | Joback Calculated Property |
| Cp,gas | 1154.13 | J/mol×K | 1181.96 | Joback Calculated Property |
| Cp,gas | 1161.11 | J/mol×K | 1220.17 | Joback Calculated Property |
| η | [0.0000374; 0.0003558] | Pa×s | [595.17; 990.92] |
|
| η | 0.0003558 | Pa×s | 595.17 | Joback Calculated Property |
| η | 0.0002027 | Pa×s | 661.13 | Joback Calculated Property |
| η | 0.0001279 | Pa×s | 727.09 | Joback Calculated Property |
| η | 0.0000871 | Pa×s | 793.05 | Joback Calculated Property |
| η | 0.0000630 | Pa×s | 859.00 | Joback Calculated Property |
| η | 0.0000476 | Pa×s | 924.96 | Joback Calculated Property |
| η | 0.0000374 | Pa×s | 990.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl nonyl ester.
Sources
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