- InChI
- InChI=1S/C28H45BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-23-32-26(30)28(5-2,6-3)27(31)33-25-21-19-24(29)20-22-25/h19-22H,4-18,23H2,1-3H3
- InChI Key
- HSOFLKBTSJNROV-UHFFFAOYSA-N
- Formula
- C28H45BrO4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)C(CC)(CC)
C(=O)Oc1ccc(Br)cc1 - Molecular Weight1
- 525.56
- 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° | -163.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -868.21 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 104.31 | kJ/mol | Joback Calculated Property |
| log10WS | -9.94 | Crippen Calculated Property | |
| logPoct/wat | 8.795 | Crippen Calculated Property | |
| McVol | 414.000 | ml/mol | McGowan Calculated Property |
| Pc | 859.99 | kPa | Joback Calculated Property |
| Inp | [3295.00; 3295.00] |
|
|
| Inp | 3295.00 | NIST | |
| Inp | 3295.00 | NIST | |
| Tboil | 1087.21 | K | Joback Calculated Property |
| Tc | 1335.68 | K | Joback Calculated Property |
| Tfus | 650.80 | K | Joback Calculated Property |
| Vc | 1.595 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1408.87; 1490.81] | J/mol×K | [1087.21; 1335.68] |
|
| Cp,gas | 1408.87 | J/mol×K | 1087.21 | Joback Calculated Property |
| Cp,gas | 1425.77 | J/mol×K | 1128.62 | Joback Calculated Property |
| Cp,gas | 1441.20 | J/mol×K | 1170.03 | Joback Calculated Property |
| Cp,gas | 1455.30 | J/mol×K | 1211.44 | Joback Calculated Property |
| Cp,gas | 1468.18 | J/mol×K | 1252.86 | Joback Calculated Property |
| Cp,gas | 1479.97 | J/mol×K | 1294.27 | Joback Calculated Property |
| Cp,gas | 1490.81 | J/mol×K | 1335.68 | Joback Calculated Property |
| η | [0.0000091; 0.0001203] | Pa×s | [650.80; 1087.21] |
|
| η | 0.0001203 | Pa×s | 650.80 | Joback Calculated Property |
| η | 0.0000629 | Pa×s | 723.53 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 796.27 | Joback Calculated Property |
| η | 0.0000239 | Pa×s | 869.00 | Joback Calculated Property |
| η | 0.0000164 | Pa×s | 941.74 | Joback Calculated Property |
| η | 0.0000120 | Pa×s | 1014.48 | Joback Calculated Property |
| η | 0.0000091 | Pa×s | 1087.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromophenyl pentadecyl ester.
Sources
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