- InChI
- InChI=1S/C23H35BrO5/c1-5-8-9-10-11-12-13-16-28-21(25)23(6-2,7-3)22(26)29-19-15-14-18(24)17-20(19)27-4/h14-15,17H,5-13,16H2,1-4H3
- InChI Key
- NIPXWOGZCVTIDX-UHFFFAOYSA-N
- Formula
- C23H35BrO5
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
c1ccc(Br)cc1OC - Molecular Weight1
- 471.43
- 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° | -319.75 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -908.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 53.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.25 | kJ/mol | Joback Calculated Property |
| log10WS | -7.55 | Crippen Calculated Property | |
| logPoct/wat | 6.463 | Crippen Calculated Property | |
| McVol | 349.420 | ml/mol | McGowan Calculated Property |
| Pc | 1139.80 | kPa | Joback Calculated Property |
| Inp | 2822.00 | NIST | |
| Tboil | 1000.21 | K | Joback Calculated Property |
| Tc | 1225.35 | K | Joback Calculated Property |
| Tfus | 629.20 | K | Joback Calculated Property |
| Vc | 1.333 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1125.47; 1191.35] | J/mol×K | [1000.21; 1225.35] | 
|
| Cp,gas | 1125.47 | J/mol×K | 1000.21 | Joback Calculated Property |
| Cp,gas | 1139.76 | J/mol×K | 1037.73 | Joback Calculated Property |
| Cp,gas | 1152.65 | J/mol×K | 1075.26 | Joback Calculated Property |
| Cp,gas | 1164.21 | J/mol×K | 1112.78 | Joback Calculated Property |
| Cp,gas | 1174.47 | J/mol×K | 1150.30 | Joback Calculated Property |
| Cp,gas | 1183.50 | J/mol×K | 1187.82 | Joback Calculated Property |
| Cp,gas | 1191.35 | J/mol×K | 1225.35 | Joback Calculated Property |
| η | [0.0000154; 0.0001439] | Pa×s | [629.20; 1000.21] |
|
| η | 0.0001439 | Pa×s | 629.20 | Joback Calculated Property |
| η | 0.0000840 | Pa×s | 691.04 | Joback Calculated Property |
| η | 0.0000535 | Pa×s | 752.87 | Joback Calculated Property |
| η | 0.0000365 | Pa×s | 814.71 | Joback Calculated Property |
| η | 0.0000263 | Pa×s | 876.54 | Joback Calculated Property |
| η | 0.0000198 | Pa×s | 938.38 | Joback Calculated Property |
| η | 0.0000154 | Pa×s | 1000.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, 4-bromo-2-methoxyphenyl nonyl ester.
Sources
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