- InChI
- InChI=1S/C22H33BrO5/c1-5-8-9-10-11-12-15-27-20(24)22(6-2,7-3)21(25)28-18-14-13-17(23)16-19(18)26-4/h13-14,16H,5-12,15H2,1-4H3
- InChI Key
- UZHKNCVEXQNSFV-UHFFFAOYSA-N
- Formula
- C22H33BrO5
- SMILES
-
CCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc
1ccc(Br)cc1OC - Molecular Weight1
- 457.40
- 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° | -328.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -888.06 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 94.03 | kJ/mol | Joback Calculated Property |
| log10WS | -7.13 | Crippen Calculated Property | |
| logPoct/wat | 6.073 | Crippen Calculated Property | |
| McVol | 335.330 | ml/mol | McGowan Calculated Property |
| Pc | 1217.44 | kPa | Joback Calculated Property |
| Inp | 2727.00 | NIST | |
| Tboil | 977.33 | K | Joback Calculated Property |
| Tc | 1199.13 | K | Joback Calculated Property |
| Tfus | 617.93 | K | Joback Calculated Property |
| Vc | 1.276 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1064.97; 1130.69] | J/mol×K | [977.33; 1199.13] | 
|
| Cp,gas | 1064.97 | J/mol×K | 977.33 | Joback Calculated Property |
| Cp,gas | 1079.10 | J/mol×K | 1014.30 | Joback Calculated Property |
| Cp,gas | 1091.90 | J/mol×K | 1051.26 | Joback Calculated Property |
| Cp,gas | 1103.41 | J/mol×K | 1088.23 | Joback Calculated Property |
| Cp,gas | 1113.68 | J/mol×K | 1125.20 | Joback Calculated Property |
| Cp,gas | 1122.76 | J/mol×K | 1162.16 | Joback Calculated Property |
| Cp,gas | 1130.69 | J/mol×K | 1199.13 | Joback Calculated Property |
| η | [0.0000181; 0.0001633] | Pa×s | [617.93; 977.33] |
|
| η | 0.0001633 | Pa×s | 617.93 | Joback Calculated Property |
| η | 0.0000963 | Pa×s | 677.83 | Joback Calculated Property |
| η | 0.0000618 | Pa×s | 737.73 | Joback Calculated Property |
| η | 0.0000424 | Pa×s | 797.63 | Joback Calculated Property |
| η | 0.0000307 | Pa×s | 857.53 | Joback Calculated Property |
| η | 0.0000232 | Pa×s | 917.43 | Joback Calculated Property |
| η | 0.0000181 | Pa×s | 977.33 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl octyl ester.
Sources
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