- InChI
- InChI=1S/C21H29BrO4/c1-2-3-4-5-8-15-25-20(23)18-9-6-7-10-19(18)21(24)26-17-13-11-16(22)12-14-17/h11-14,18-19H,2-10,15H2,1H3
- InChI Key
- OMQLBDFPDGIKRT-UHFFFAOYSA-N
- Formula
- C21H29BrO4
- SMILES
-
CCCCCCCOC(=O)C1CCCCC1C(=O)Oc1c
cc(Br)cc1 - Molecular Weight1
- 425.36
- 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° | -208.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -681.00 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.14 | kJ/mol | Joback Calculated Property |
| log10WS | -6.66 | Crippen Calculated Property | |
| logPoct/wat | 5.675 | Crippen Calculated Property | |
| McVol | 304.510 | ml/mol | McGowan Calculated Property |
| Pc | 1496.51 | kPa | Joback Calculated Property |
| Inp | 2835.00 | NIST | |
| Tboil | 945.16 | K | Joback Calculated Property |
| Tc | 1173.37 | K | Joback Calculated Property |
| Tfus | 572.63 | K | Joback Calculated Property |
| Vc | 1.145 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.05; 1042.58] | J/mol×K | [945.16; 1173.37] | 
|
| Cp,gas | 976.05 | J/mol×K | 945.16 | Joback Calculated Property |
| Cp,gas | 990.94 | J/mol×K | 983.20 | Joback Calculated Property |
| Cp,gas | 1004.26 | J/mol×K | 1021.23 | Joback Calculated Property |
| Cp,gas | 1016.04 | J/mol×K | 1059.27 | Joback Calculated Property |
| Cp,gas | 1026.33 | J/mol×K | 1097.30 | Joback Calculated Property |
| Cp,gas | 1035.16 | J/mol×K | 1135.34 | Joback Calculated Property |
| Cp,gas | 1042.58 | J/mol×K | 1173.37 | Joback Calculated Property |
| η | [0.0000505; 0.0004466] | Pa×s | [572.63; 945.16] |
|
| η | 0.0004466 | Pa×s | 572.63 | Joback Calculated Property |
| η | 0.0002599 | Pa×s | 634.72 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 696.81 | Joback Calculated Property |
| η | 0.0001149 | Pa×s | 758.89 | Joback Calculated Property |
| η | 0.0000838 | Pa×s | 820.98 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 883.07 | Joback Calculated Property |
| η | 0.0000505 | Pa×s | 945.16 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl heptyl ester.
Sources
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