- InChI
- InChI=1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2
- InChI Key
- JHVLLYQQQYIWKX-UHFFFAOYSA-N
- Formula
- C9H9BrO2
- SMILES
- O=C(CBr)OCc1ccccc1
- Molecular Weight1
- 229.07
- CAS
- 5437-45-6
- Other Names
-
- Benzyl bromoacetate
- Acetic acid, bromo-, phenylmethyl ester
- Acetic acid, bromo-, benzyl ester
- Bromoacetic acid, benzyl 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° | -82.29 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -211.03 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.50 | kJ/mol | Joback Calculated Property |
| log10WS | -2.48 | Crippen Calculated Property | |
| logPoct/wat | 2.125 | Crippen Calculated Property | |
| McVol | 138.850 | ml/mol | McGowan Calculated Property |
| Pc | 3736.23 | kPa | Joback Calculated Property |
| Tboil | 574.45 | K | Joback Calculated Property |
| Tc | 805.03 | K | Joback Calculated Property |
| Tfus | 349.57 | K | Joback Calculated Property |
| Vc | 0.517 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [292.03; 350.54] | J/mol×K | [574.45; 805.03] | 
|
| Cp,gas | 292.03 | J/mol×K | 574.45 | Joback Calculated Property |
| Cp,gas | 303.67 | J/mol×K | 612.88 | Joback Calculated Property |
| Cp,gas | 314.52 | J/mol×K | 651.31 | Joback Calculated Property |
| Cp,gas | 324.59 | J/mol×K | 689.74 | Joback Calculated Property |
| Cp,gas | 333.94 | J/mol×K | 728.17 | Joback Calculated Property |
| Cp,gas | 342.57 | J/mol×K | 766.60 | Joback Calculated Property |
| Cp,gas | 350.54 | J/mol×K | 805.03 | Joback Calculated Property |
| η | [0.0002418; 0.0019077] | Pa×s | [349.57; 574.45] |
|
| η | 0.0019077 | Pa×s | 349.57 | Joback Calculated Property |
| η | 0.0011445 | Pa×s | 387.05 | Joback Calculated Property |
| η | 0.0007515 | Pa×s | 424.53 | Joback Calculated Property |
| η | 0.0005283 | Pa×s | 462.01 | Joback Calculated Property |
| η | 0.0003915 | Pa×s | 499.49 | Joback Calculated Property |
| η | 0.0003026 | Pa×s | 536.97 | Joback Calculated Property |
| η | 0.0002418 | Pa×s | 574.45 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 441.20 | K | 2.90 | NIST |
Similar Compounds
Find more compounds similar to Benzyl 2-bromoacetate.
Sources
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