- InChI
- InChI=1S/C14H10BrFO2/c15-12-9-11(16)6-7-13(12)18-14(17)8-10-4-2-1-3-5-10/h1-7,9H,8H2
- InChI Key
- XMLJZNPMOWWODA-UHFFFAOYSA-N
- Formula
- C14H10BrFO2
- SMILES
- O=C(Cc1ccccc1)Oc1ccc(F)cc1Br
- Molecular Weight1
- 309.13
- 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° | -141.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -296.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 30.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.41 | kJ/mol | Joback Calculated Property |
| log10WS | -4.89 | Crippen Calculated Property | |
| logPoct/wat | 3.736 | Crippen Calculated Property | |
| McVol | 187.310 | ml/mol | McGowan Calculated Property |
| Pc | 2890.51 | kPa | Joback Calculated Property |
| Inp | [1960.00; 1960.00] |
|
|
| Inp | 1960.00 | NIST | |
| Inp | 1960.00 | NIST | |
| Tboil | 724.76 | K | Joback Calculated Property |
| Tc | 968.45 | K | Joback Calculated Property |
| Tfus | 457.97 | K | Joback Calculated Property |
| Vc | 0.708 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [456.84; 516.70] | J/mol×K | [724.76; 968.45] |
|
| Cp,gas | 456.84 | J/mol×K | 724.76 | Joback Calculated Property |
| Cp,gas | 469.28 | J/mol×K | 765.37 | Joback Calculated Property |
| Cp,gas | 480.66 | J/mol×K | 805.99 | Joback Calculated Property |
| Cp,gas | 491.04 | J/mol×K | 846.60 | Joback Calculated Property |
| Cp,gas | 500.48 | J/mol×K | 887.22 | Joback Calculated Property |
| Cp,gas | 509.01 | J/mol×K | 927.83 | Joback Calculated Property |
| Cp,gas | 516.70 | J/mol×K | 968.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Phenylacetic acid, 2-bromo-4-fluorophenyl ester.
Sources
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