- InChI
- InChI=1S/C14H16BrFO4/c1-4-7-19-12(17)14(2,3)13(18)20-11-6-5-9(16)8-10(11)15/h5-6,8H,4,7H2,1-3H3
- InChI Key
- WCEYACRHXILLMS-UHFFFAOYSA-N
- Formula
- C14H16BrFO4
- SMILES
-
CCCOC(=O)C(C)(C)C(=O)Oc1ccc(F)
cc1Br - Molecular Weight1
- 347.18
- 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° | -485.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -786.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.99 | kJ/mol | Joback Calculated Property |
| log10WS | -4.41 | Crippen Calculated Property | |
| logPoct/wat | 3.473 | Crippen Calculated Property | |
| McVol | 218.510 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [1829.00; 1829.00] |
|
|
| Inp | 1829.00 | NIST | |
| Inp | 1829.00 | NIST | |
| Tboil | 771.14 | K | Joback Calculated Property |
| Tc | 989.79 | K | Joback Calculated Property |
| Tfus | 506.13 | K | Joback Calculated Property |
| Vc | 0.829 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [586.34; 647.53] | J/mol×K | [771.14; 989.79] |
|
| Cp,gas | 586.34 | J/mol×K | 771.14 | Joback Calculated Property |
| Cp,gas | 598.80 | J/mol×K | 807.58 | Joback Calculated Property |
| Cp,gas | 610.30 | J/mol×K | 844.02 | Joback Calculated Property |
| Cp,gas | 620.89 | J/mol×K | 880.47 | Joback Calculated Property |
| Cp,gas | 630.61 | J/mol×K | 916.91 | Joback Calculated Property |
| Cp,gas | 639.47 | J/mol×K | 953.35 | Joback Calculated Property |
| Cp,gas | 647.53 | J/mol×K | 989.79 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl propyl ester.
Sources
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