- InChI
- InChI=1S/C8H7BrO2/c9-8-3-1-2-7(4-8)5-11-6-10/h1-4,6H,5H2
- InChI Key
- DHMOFWPIPCIXNL-UHFFFAOYSA-N
- Formula
- C8H7BrO2
- SMILES
- O=COCc1cccc(Br)c1
- Molecular Weight1
- 215.04
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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° | -70.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -174.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 18.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.91 | kJ/mol | Joback Calculated Property |
| log10WS | -2.79 | Crippen Calculated Property | |
| logPoct/wat | 2.122 | Crippen Calculated Property | |
| McVol | 124.760 | ml/mol | McGowan Calculated Property |
| Pc | 4194.74 | kPa | Joback Calculated Property |
| Inp | 1375.00 | NIST | |
| Tboil | 551.34 | K | Joback Calculated Property |
| Tc | 781.91 | K | Joback Calculated Property |
| Tfus | 342.89 | K | Joback Calculated Property |
| Vc | 0.472 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [248.43; 299.04] | J/mol×K | [551.34; 781.91] | 
|
| Cp,gas | 248.43 | J/mol×K | 551.34 | Joback Calculated Property |
| Cp,gas | 258.42 | J/mol×K | 589.77 | Joback Calculated Property |
| Cp,gas | 267.75 | J/mol×K | 628.20 | Joback Calculated Property |
| Cp,gas | 276.47 | J/mol×K | 666.63 | Joback Calculated Property |
| Cp,gas | 284.57 | J/mol×K | 705.06 | Joback Calculated Property |
| Cp,gas | 292.09 | J/mol×K | 743.48 | Joback Calculated Property |
| Cp,gas | 299.04 | J/mol×K | 781.91 | Joback Calculated Property |
| η | [0.0002839; 0.0017422] | Pa×s | [342.89; 551.34] |
|
| η | 0.0017422 | Pa×s | 342.89 | Joback Calculated Property |
| η | 0.0011204 | Pa×s | 377.63 | Joback Calculated Property |
| η | 0.0007762 | Pa×s | 412.37 | Joback Calculated Property |
| η | 0.0005693 | Pa×s | 447.12 | Joback Calculated Property |
| η | 0.0004366 | Pa×s | 481.86 | Joback Calculated Property |
| η | 0.0003470 | Pa×s | 516.60 | Joback Calculated Property |
| η | 0.0002839 | Pa×s | 551.34 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Formic acid, (3-bromophenyl)methyl ester.
Sources
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