- InChI
- InChI=1S/C19H26BrFO4/c1-4-5-6-7-8-9-12-24-17(22)19(2,3)18(23)25-16-11-10-14(21)13-15(16)20/h10-11,13H,4-9,12H2,1-3H3
- InChI Key
- HUWZDMYHBAGNBK-UHFFFAOYSA-N
- Formula
- C19H26BrFO4
- SMILES
-
CCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c
cc(F)cc1Br - Molecular Weight1
- 417.31
- 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° | -443.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -890.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.51 | Crippen Calculated Property | |
| logPoct/wat | 5.423 | Crippen Calculated Property | |
| McVol | 288.960 | ml/mol | McGowan Calculated Property |
| Pc | 1472.49 | kPa | Joback Calculated Property |
| Inp | [2299.00; 2299.00] |
|
|
| Inp | 2299.00 | NIST | |
| Inp | 2299.00 | NIST | |
| Tboil | 885.54 | K | Joback Calculated Property |
| Tc | 1097.51 | K | Joback Calculated Property |
| Tfus | 562.48 | K | Joback Calculated Property |
| Vc | 1.109 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [866.41; 934.70] | J/mol×K | [885.54; 1097.51] |
|
| Cp,gas | 866.41 | J/mol×K | 885.54 | Joback Calculated Property |
| Cp,gas | 880.29 | J/mol×K | 920.87 | Joback Calculated Property |
| Cp,gas | 893.11 | J/mol×K | 956.20 | Joback Calculated Property |
| Cp,gas | 904.91 | J/mol×K | 991.52 | Joback Calculated Property |
| Cp,gas | 915.75 | J/mol×K | 1026.85 | Joback Calculated Property |
| Cp,gas | 925.66 | J/mol×K | 1062.18 | Joback Calculated Property |
| Cp,gas | 934.70 | J/mol×K | 1097.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl octyl ester.
Sources
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