- InChI
- InChI=1S/C15H18BrFO4/c1-9(2)8-20-13(18)15(3,4)14(19)21-12-6-5-10(17)7-11(12)16/h5-7,9H,8H2,1-4H3
- InChI Key
- GXJQNNBOVDBOTD-UHFFFAOYSA-N
- Formula
- C15H18BrFO4
- SMILES
-
CC(C)COC(=O)C(C)(C)C(=O)Oc1ccc
(F)cc1Br - Molecular Weight1
- 361.20
- 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° | -479.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -812.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.83 | kJ/mol | Joback Calculated Property |
| log10WS | -4.59 | Crippen Calculated Property | |
| logPoct/wat | 3.719 | Crippen Calculated Property | |
| McVol | 232.600 | ml/mol | McGowan Calculated Property |
| Pc | 2040.07 | kPa | Joback Calculated Property |
| Inp | 1877.00 | NIST | |
| Tboil | 793.58 | K | Joback Calculated Property |
| Tc | 1012.91 | K | Joback Calculated Property |
| Tfus | 502.40 | K | Joback Calculated Property |
| Vc | 0.878 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [641.04; 704.61] | J/mol×K | [793.58; 1012.91] | 
|
| Cp,gas | 641.04 | J/mol×K | 793.58 | Joback Calculated Property |
| Cp,gas | 654.04 | J/mol×K | 830.14 | Joback Calculated Property |
| Cp,gas | 666.03 | J/mol×K | 866.69 | Joback Calculated Property |
| Cp,gas | 677.04 | J/mol×K | 903.25 | Joback Calculated Property |
| Cp,gas | 687.12 | J/mol×K | 939.80 | Joback Calculated Property |
| Cp,gas | 696.30 | J/mol×K | 976.36 | Joback Calculated Property |
| Cp,gas | 704.61 | J/mol×K | 1012.91 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl isobutyl ester.
Sources
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