- InChI
- InChI=1S/C26H41BrO5/c1-5-8-9-10-11-12-13-14-15-16-19-31-24(28)26(6-2,7-3)25(29)32-22-18-17-21(27)20-23(22)30-4/h17-18,20H,5-16,19H2,1-4H3
- InChI Key
- WTUGAVFRFVSRRG-UHFFFAOYSA-N
- Formula
- C26H41BrO5
- SMILES
-
CCCCCCCCCCCCOC(=O)C(CC)(CC)C(=
O)Oc1ccc(Br)cc1OC - Molecular Weight1
- 513.50
- 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° | -294.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -970.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.93 | kJ/mol | Joback Calculated Property |
| log10WS | -8.80 | Crippen Calculated Property | |
| logPoct/wat | 7.634 | Crippen Calculated Property | |
| McVol | 391.690 | ml/mol | McGowan Calculated Property |
| Pc | 946.75 | kPa | Joback Calculated Property |
| Inp | 3130.00 | NIST | |
| Tboil | 1068.85 | K | Joback Calculated Property |
| Tc | 1310.37 | K | Joback Calculated Property |
| Tfus | 663.01 | K | Joback Calculated Property |
| Vc | 1.500 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1309.59; 1375.83] | J/mol×K | [1068.85; 1310.37] | 
|
| Cp,gas | 1309.59 | J/mol×K | 1068.85 | Joback Calculated Property |
| Cp,gas | 1324.45 | J/mol×K | 1109.10 | Joback Calculated Property |
| Cp,gas | 1337.69 | J/mol×K | 1149.36 | Joback Calculated Property |
| Cp,gas | 1349.36 | J/mol×K | 1189.61 | Joback Calculated Property |
| Cp,gas | 1359.56 | J/mol×K | 1229.87 | Joback Calculated Property |
| Cp,gas | 1368.36 | J/mol×K | 1270.12 | Joback Calculated Property |
| Cp,gas | 1375.83 | J/mol×K | 1310.37 | Joback Calculated Property |
| η | [0.0000094; 0.0000972] | Pa×s | [663.01; 1068.85] |
|
| η | 0.0000972 | Pa×s | 663.01 | Joback Calculated Property |
| η | 0.0000550 | Pa×s | 730.65 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 798.29 | Joback Calculated Property |
| η | 0.0000230 | Pa×s | 865.93 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 933.57 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 1001.21 | Joback Calculated Property |
| η | 0.0000094 | Pa×s | 1068.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl dodecyl ester.
Sources
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