- InChI
- InChI=1S/C9H9BrO2/c10-6-5-7-1-3-8(4-2-7)9(11)12/h1-4H,5-6H2,(H,11,12)
- InChI Key
- BKMRWJWLBHHGCF-UHFFFAOYSA-N
- Formula
- C9H9BrO2
- SMILES
- O=C(O)c1ccc(CCBr)cc1
- Molecular Weight1
- 229.07
- Other Names
-
- p-(«beta»-Bromoethyl)benzoic acid
- p-(b-Bromoethyl)benzoic acid
- Benzoic acid, 4-(2-bromoethyl)-
- 4-(2-bromoethyl)benzoic acid
- 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 | 0.7872 | Relay (1.0) Calculated Property | |
| ΔfG° | -201.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -334.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.44 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.322 | Crippen Calculated Property | |
| McVol | 138.850 | ml/mol | McGowan Calculated Property |
| Pc | 3867.48 | kPa | Joback Calculated Property |
| Tboil | 589.35 | K | Relay (1.0) Calculated Property |
| Tc | 826.16 | K | Relay (1.0) Calculated Property |
| Tfus | 432.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.76; 364.80] | J/mol×K | [648.85; 886.19] | 
|
| Cp,gas | 314.76 | J/mol×K | 648.85 | Joback Calculated Property |
| Cp,gas | 324.83 | J/mol×K | 688.41 | Joback Calculated Property |
| Cp,gas | 334.13 | J/mol×K | 727.96 | Joback Calculated Property |
| Cp,gas | 342.72 | J/mol×K | 767.52 | Joback Calculated Property |
| Cp,gas | 350.65 | J/mol×K | 807.07 | Joback Calculated Property |
| Cp,gas | 358.00 | J/mol×K | 846.63 | Joback Calculated Property |
| Cp,gas | 364.80 | J/mol×K | 886.19 | Joback Calculated Property |
| η | [0.0002283; 0.0010111] | Pa×s | [450.53; 648.85] |
|
| η | 0.0010111 | Pa×s | 450.53 | Joback Calculated Property |
| η | 0.0007249 | Pa×s | 483.58 | Joback Calculated Property |
| η | 0.0005423 | Pa×s | 516.64 | Joback Calculated Property |
| η | 0.0004201 | Pa×s | 549.69 | Joback Calculated Property |
| η | 0.0003350 | Pa×s | 582.74 | Joback Calculated Property |
| η | 0.0002737 | Pa×s | 615.80 | Joback Calculated Property |
| η | 0.0002283 | Pa×s | 648.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to P-(2-BROMOETHYL)BENZOIC ACID.
Sources
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