- InChI
- InChI=1S/C25H39BrO5/c1-5-8-9-10-11-12-13-14-15-18-30-23(27)25(6-2,7-3)24(28)31-21-17-16-20(26)19-22(21)29-4/h16-17,19H,5-15,18H2,1-4H3
- InChI Key
- HDEUNJPWVYRILL-UHFFFAOYSA-N
- Formula
- C25H39BrO5
- SMILES
-
CCCCCCCCCCCOC(=O)C(CC)(CC)C(=O
)Oc1ccc(Br)cc1OC - Molecular Weight1
- 499.48
- 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° | -302.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -949.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.70 | kJ/mol | Joback Calculated Property |
| log10WS | -8.39 | Crippen Calculated Property | |
| logPoct/wat | 7.244 | Crippen Calculated Property | |
| McVol | 377.600 | ml/mol | McGowan Calculated Property |
| Pc | 1005.26 | kPa | Joback Calculated Property |
| Inp | [3034.00; 3034.00] |
|
|
| Inp | 3034.00 | NIST | |
| Inp | 3034.00 | NIST | |
| Tboil | 1045.97 | K | Joback Calculated Property |
| Tc | 1280.89 | K | Joback Calculated Property |
| Tfus | 651.74 | K | Joback Calculated Property |
| Vc | 1.444 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1247.83; 1313.96] | J/mol×K | [1045.97; 1280.89] |
|
| Cp,gas | 1247.83 | J/mol×K | 1045.97 | Joback Calculated Property |
| Cp,gas | 1262.47 | J/mol×K | 1085.12 | Joback Calculated Property |
| Cp,gas | 1275.58 | J/mol×K | 1124.28 | Joback Calculated Property |
| Cp,gas | 1287.22 | J/mol×K | 1163.43 | Joback Calculated Property |
| Cp,gas | 1297.45 | J/mol×K | 1202.59 | Joback Calculated Property |
| Cp,gas | 1306.34 | J/mol×K | 1241.74 | Joback Calculated Property |
| Cp,gas | 1313.96 | J/mol×K | 1280.89 | Joback Calculated Property |
| η | [0.0000111; 0.0001110] | Pa×s | [651.74; 1045.97] |
|
| η | 0.0001110 | Pa×s | 651.74 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 717.45 | Joback Calculated Property |
| η | 0.0000399 | Pa×s | 783.15 | Joback Calculated Property |
| η | 0.0000269 | Pa×s | 848.86 | Joback Calculated Property |
| η | 0.0000192 | Pa×s | 914.56 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 980.26 | Joback Calculated Property |
| η | 0.0000111 | Pa×s | 1045.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl undecyl ester.
Sources
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