- InChI
- InChI=1S/C20H28BrFO4/c1-4-5-6-7-8-9-10-13-25-18(23)20(2,3)19(24)26-17-12-11-15(22)14-16(17)21/h11-12,14H,4-10,13H2,1-3H3
- InChI Key
- DQGMXGIZIUYZCU-UHFFFAOYSA-N
- Formula
- C20H28BrFO4
- SMILES
-
CCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1
ccc(F)cc1Br - Molecular Weight1
- 431.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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° | -434.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -910.67 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.34 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.35 | kJ/mol | Joback Calculated Property |
| log10WS | -6.92 | Crippen Calculated Property | |
| logPoct/wat | 5.814 | Crippen Calculated Property | |
| McVol | 303.050 | ml/mol | McGowan Calculated Property |
| Pc | 1369.71 | kPa | Joback Calculated Property |
| Inp | [2399.00; 2399.00] |
|
|
| Inp | 2399.00 | NIST | |
| Inp | 2399.00 | NIST | |
| Tboil | 908.42 | K | Joback Calculated Property |
| Tc | 1121.12 | K | Joback Calculated Property |
| Tfus | 573.75 | K | Joback Calculated Property |
| Vc | 1.165 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [924.94; 994.26] | J/mol×K | [908.42; 1121.12] |
|
| Cp,gas | 924.94 | J/mol×K | 908.42 | Joback Calculated Property |
| Cp,gas | 939.05 | J/mol×K | 943.87 | Joback Calculated Property |
| Cp,gas | 952.07 | J/mol×K | 979.32 | Joback Calculated Property |
| Cp,gas | 964.06 | J/mol×K | 1014.77 | Joback Calculated Property |
| Cp,gas | 975.05 | J/mol×K | 1050.22 | Joback Calculated Property |
| Cp,gas | 985.10 | J/mol×K | 1085.67 | Joback Calculated Property |
| Cp,gas | 994.26 | J/mol×K | 1121.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl nonyl ester.
Sources
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