- InChI
- InChI=1S/C9H9BrO2/c1-12-9(11)8(10)7-5-3-2-4-6-7/h2-6,8H,1H3
- InChI Key
- NHFBYYMNJUMVOT-UHFFFAOYSA-N
- Formula
- C9H9BrO2
- SMILES
- COC(=O)C(Br)c1ccccc1
- Molecular Weight1
- 229.07
- CAS
- 3042-81-7
- Other Names
-
- Methyl «alpha»-bromophenylacetate
- Acetic acid, bromophenyl-, methyl ester
- Methyl «alpha»-bromo-«alpha»-phenylacetate
- Methyl «alpha»-bromobenzeneacetate
- Methyl bromophenylacetate
- 2-bromo-2-phenylacetic acid methyl ester
- 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).
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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° | -84.73 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -216.31 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.11 | kJ/mol | Joback Calculated Property |
| log10WS | -2.45 | Crippen Calculated Property | |
| logPoct/wat | 2.296 | Crippen Calculated Property | |
| McVol | 138.850 | ml/mol | McGowan Calculated Property |
| Pc | 3773.04 | kPa | Joback Calculated Property |
| Tboil | 574.01 | K | Joback Calculated Property |
| Tc | 809.80 | K | Joback Calculated Property |
| Tfus | 334.57 | K | Joback Calculated Property |
| Vc | 0.511 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.46; 352.23] | J/mol×K | [574.01; 809.80] | 
|
| Cp,gas | 292.46 | J/mol×K | 574.01 | Joback Calculated Property |
| Cp,gas | 304.43 | J/mol×K | 613.31 | Joback Calculated Property |
| Cp,gas | 315.55 | J/mol×K | 652.61 | Joback Calculated Property |
| Cp,gas | 325.86 | J/mol×K | 691.91 | Joback Calculated Property |
| Cp,gas | 335.38 | J/mol×K | 731.20 | Joback Calculated Property |
| Cp,gas | 344.16 | J/mol×K | 770.50 | Joback Calculated Property |
| Cp,gas | 352.23 | J/mol×K | 809.80 | Joback Calculated Property |
| η | [0.0002265; 0.0023666] | Pa×s | [334.57; 574.01] |
|
| η | 0.0023666 | Pa×s | 334.57 | Joback Calculated Property |
| η | 0.0012995 | Pa×s | 374.48 | Joback Calculated Property |
| η | 0.0008009 | Pa×s | 414.38 | Joback Calculated Property |
| η | 0.0005374 | Pa×s | 454.29 | Joback Calculated Property |
| η | 0.0003846 | Pa×s | 494.20 | Joback Calculated Property |
| η | 0.0002893 | Pa×s | 534.10 | Joback Calculated Property |
| η | 0.0002265 | Pa×s | 574.01 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 421.50 ± 0.50 | K | 3.30 | NIST |
Similar Compounds
Find more compounds similar to Benzeneacetic acid, «alpha»-bromo-, methyl ester.
Sources
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