- InChI
- InChI=1S/C8H7BrO2/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
- InChI Key
- ZXMISUUIYPFORW-UHFFFAOYSA-N
- Formula
- C8H7BrO2
- SMILES
- Cc1ccc(Br)c(C(=O)O)c1
- Molecular Weight1
- 215.04
- CAS
- 6967-82-4
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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).
- 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 |
|---|---|---|---|
| ω | 0.6825 | Relay (1.0) Calculated Property | |
| ΔfG° | -141.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -305.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.456 | Crippen Calculated Property | |
| McVol | 124.760 | ml/mol | McGowan Calculated Property |
| Pc | 4684.89 | kPa | Joback Calculated Property |
| Tboil | 567.53 | K | Relay (1.0) Calculated Property |
| Tc | 806.37 | K | Relay (1.0) Calculated Property |
| Tfus | 431.95 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [264.03; 305.18] | J/mol×K | [631.29; 852.05] | 
|
| Cp,gas | 264.03 | J/mol×K | 631.29 | Joback Calculated Property |
| Cp,gas | 272.16 | J/mol×K | 668.08 | Joback Calculated Property |
| Cp,gas | 279.75 | J/mol×K | 704.88 | Joback Calculated Property |
| Cp,gas | 286.82 | J/mol×K | 741.67 | Joback Calculated Property |
| Cp,gas | 293.39 | J/mol×K | 778.46 | Joback Calculated Property |
| Cp,gas | 299.50 | J/mol×K | 815.26 | Joback Calculated Property |
| Cp,gas | 305.18 | J/mol×K | 852.05 | Joback Calculated Property |
| η | [0.0000986; 0.0018526] | Pa×s | [401.93; 631.29] |
|
| η | 0.0018526 | Pa×s | 401.93 | Joback Calculated Property |
| η | 0.0009189 | Pa×s | 440.16 | Joback Calculated Property |
| η | 0.0005098 | Pa×s | 478.38 | Joback Calculated Property |
| η | 0.0003086 | Pa×s | 516.61 | Joback Calculated Property |
| η | 0.0002002 | Pa×s | 554.84 | Joback Calculated Property |
| η | 0.0001373 | Pa×s | 593.06 | Joback Calculated Property |
| η | 0.0000986 | Pa×s | 631.29 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-5-methylbenzoic acid.
Sources
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