- InChI
- InChI=1S/C13H14BrFO4/c1-4-18-11(16)13(2,3)12(17)19-10-6-5-8(15)7-9(10)14/h5-7H,4H2,1-3H3
- InChI Key
- BTIHOIGJBJUHMU-UHFFFAOYSA-N
- Formula
- C13H14BrFO4
- SMILES
-
CCOC(=O)C(C)(C)C(=O)Oc1ccc(F)c
c1Br - Molecular Weight1
- 333.15
- 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° | -493.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -766.19 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.21 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.99 | Crippen Calculated Property | |
| logPoct/wat | 3.083 | Crippen Calculated Property | |
| McVol | 204.420 | ml/mol | McGowan Calculated Property |
| Pc | 2426.65 | kPa | Joback Calculated Property |
| Inp | [1735.00; 1735.00] |
|
|
| Inp | 1735.00 | NIST | |
| Inp | 1735.00 | NIST | |
| Tboil | 748.26 | K | Joback Calculated Property |
| Tc | 970.01 | K | Joback Calculated Property |
| Tfus | 494.86 | K | Joback Calculated Property |
| Vc | 0.772 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [533.32; 592.34] | J/mol×K | [748.26; 970.01] |
|
| Cp,gas | 533.32 | J/mol×K | 748.26 | Joback Calculated Property |
| Cp,gas | 545.36 | J/mol×K | 785.22 | Joback Calculated Property |
| Cp,gas | 556.48 | J/mol×K | 822.18 | Joback Calculated Property |
| Cp,gas | 566.70 | J/mol×K | 859.13 | Joback Calculated Property |
| Cp,gas | 576.07 | J/mol×K | 896.09 | Joback Calculated Property |
| Cp,gas | 584.60 | J/mol×K | 933.05 | Joback Calculated Property |
| Cp,gas | 592.34 | J/mol×K | 970.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Dimethylmalonic acid, 2-bromo-4-fluorophenyl ethyl ester.
Sources
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