- InChI
- InChI=1S/C22H31BrO4/c1-2-3-4-5-6-9-16-26-21(24)19-10-7-8-11-20(19)22(25)27-18-14-12-17(23)13-15-18/h12-15,19-20H,2-11,16H2,1H3
- InChI Key
- KMAOVLZXJHOARO-UHFFFAOYSA-N
- Formula
- C22H31BrO4
- SMILES
-
CCCCCCCCOC(=O)C1CCCCC1C(=O)Oc1
ccc(Br)cc1 - Molecular Weight1
- 439.38
- 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° | -199.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -701.64 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 92.37 | kJ/mol | Joback Calculated Property |
| log10WS | -7.08 | Crippen Calculated Property | |
| logPoct/wat | 6.065 | Crippen Calculated Property | |
| McVol | 318.600 | ml/mol | McGowan Calculated Property |
| Pc | 1391.25 | kPa | Joback Calculated Property |
| Inp | 2945.00 | NIST | |
| Tboil | 968.04 | K | Joback Calculated Property |
| Tc | 1196.34 | K | Joback Calculated Property |
| Tfus | 583.90 | K | Joback Calculated Property |
| Vc | 1.202 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1036.07; 1101.66] | J/mol×K | [968.04; 1196.34] | 
|
| Cp,gas | 1036.07 | J/mol×K | 968.04 | Joback Calculated Property |
| Cp,gas | 1050.87 | J/mol×K | 1006.09 | Joback Calculated Property |
| Cp,gas | 1064.06 | J/mol×K | 1044.14 | Joback Calculated Property |
| Cp,gas | 1075.69 | J/mol×K | 1082.19 | Joback Calculated Property |
| Cp,gas | 1085.80 | J/mol×K | 1120.24 | Joback Calculated Property |
| Cp,gas | 1094.44 | J/mol×K | 1158.29 | Joback Calculated Property |
| Cp,gas | 1101.66 | J/mol×K | 1196.34 | Joback Calculated Property |
| η | [0.0000435; 0.0003992] | Pa×s | [583.90; 968.04] |
|
| η | 0.0003992 | Pa×s | 583.90 | Joback Calculated Property |
| η | 0.0002299 | Pa×s | 647.92 | Joback Calculated Property |
| η | 0.0001462 | Pa×s | 711.95 | Joback Calculated Property |
| η | 0.0001002 | Pa×s | 775.97 | Joback Calculated Property |
| η | 0.0000727 | Pa×s | 839.99 | Joback Calculated Property |
| η | 0.0000552 | Pa×s | 904.02 | Joback Calculated Property |
| η | 0.0000435 | Pa×s | 968.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl octyl ester.
Sources
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