- InChI
- InChI=1S/C11H10BrFO2/c12-9-6-8(13)4-5-10(9)15-11(14)7-2-1-3-7/h4-7H,1-3H2
- InChI Key
- OIZOYTFBIHYZBY-UHFFFAOYSA-N
- Formula
- C11H10BrFO2
- SMILES
- O=C(Oc1ccc(F)cc1Br)C1CCC1
- Molecular Weight1
- 273.10
- 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° | -230.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -404.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 58.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.19 | Crippen Calculated Property | |
| logPoct/wat | 3.294 | Crippen Calculated Property | |
| McVol | 157.940 | ml/mol | McGowan Calculated Property |
| Pc | 3272.78 | kPa | Joback Calculated Property |
| Inp | 1572.00 | NIST | |
| Tboil | 640.45 | K | Joback Calculated Property |
| Tc | 876.60 | K | Joback Calculated Property |
| Tfus | 412.16 | K | Joback Calculated Property |
| Vc | 0.597 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [377.79; 443.92] | J/mol×K | [640.45; 876.60] | 
|
| Cp,gas | 377.79 | J/mol×K | 640.45 | Joback Calculated Property |
| Cp,gas | 391.09 | J/mol×K | 679.81 | Joback Calculated Property |
| Cp,gas | 403.41 | J/mol×K | 719.17 | Joback Calculated Property |
| Cp,gas | 414.81 | J/mol×K | 758.53 | Joback Calculated Property |
| Cp,gas | 425.32 | J/mol×K | 797.88 | Joback Calculated Property |
| Cp,gas | 435.01 | J/mol×K | 837.24 | Joback Calculated Property |
| Cp,gas | 443.92 | J/mol×K | 876.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Cyclobutanecarboxylic acid, 2-bromo-4-fluorophenyl ester.
Sources
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