- InChI
- InChI=1S/C14H10BrFO3/c1-18-12-5-3-2-4-10(12)14(17)19-13-7-6-9(16)8-11(13)15/h2-8H,1H3
- InChI Key
- IRGWJWHJODMPEF-UHFFFAOYSA-N
- Formula
- C14H10BrFO3
- SMILES
- COc1ccccc1C(=O)Oc1ccc(F)cc1Br
- Molecular Weight1
- 325.13
- 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° | -256.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -440.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.48 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 3.816 | Crippen Calculated Property | |
| McVol | 193.180 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | 1960.40 | NIST | |
| Tboil | 752.16 | K | Joback Calculated Property |
| Tc | 992.93 | K | Joback Calculated Property |
| Tfus | 492.72 | K | Joback Calculated Property |
| Vc | 0.726 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [479.69; 536.45] | J/mol×K | [752.16; 992.93] | 
|
| Cp,gas | 479.69 | J/mol×K | 752.16 | Joback Calculated Property |
| Cp,gas | 491.66 | J/mol×K | 792.29 | Joback Calculated Property |
| Cp,gas | 502.60 | J/mol×K | 832.42 | Joback Calculated Property |
| Cp,gas | 512.53 | J/mol×K | 872.55 | Joback Calculated Property |
| Cp,gas | 521.47 | J/mol×K | 912.67 | Joback Calculated Property |
| Cp,gas | 529.44 | J/mol×K | 952.80 | Joback Calculated Property |
| Cp,gas | 536.45 | J/mol×K | 992.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to o-Methoxybenzoic acid, 2-bromo-4-fluorophenyl ester.
Sources
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