- InChI
- InChI=1S/C10H11BrO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
- InChI Key
- ZFDCWHPNBWPPHG-UHFFFAOYSA-N
- Formula
- C10H11BrO2
- SMILES
- CCOC(=O)Cc1ccc(Br)cc1
- Molecular Weight1
- 243.10
- CAS
- 14062-25-0
- Other Names
-
- Benzeneacetic acid, 4-bromo-, ethyl ester
- Ethyl (4-bromophenyl)acetate
- 4-Bromophenylacetic acid ethyl ester
- 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).
- 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 |
|---|---|---|---|
| ω | 0.5150 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -322.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 73.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.41 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.40 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.555 | Crippen Calculated Property | |
| McVol | 152.940 | ml/mol | McGowan Calculated Property |
| Pc | 3127.99 | kPa | Joback Calculated Property |
| Inp | 1583.00 | NIST | |
| Tboil | 553.46 | K | Relay (1.0) Calculated Property |
| Tc | 754.54 | K | Relay (1.0) Calculated Property |
| Tfus | 282.38 | K | Relay (1.0) Calculated Property |
| Vc | 0.545 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [334.18; 397.52] | J/mol×K | [584.44; 809.40] | 
|
| Cp,gas | 334.18 | J/mol×K | 584.44 | Joback Calculated Property |
| Cp,gas | 346.77 | J/mol×K | 621.93 | Joback Calculated Property |
| Cp,gas | 358.51 | J/mol×K | 659.43 | Joback Calculated Property |
| Cp,gas | 369.43 | J/mol×K | 696.92 | Joback Calculated Property |
| Cp,gas | 379.55 | J/mol×K | 734.41 | Joback Calculated Property |
| Cp,gas | 388.91 | J/mol×K | 771.91 | Joback Calculated Property |
| Cp,gas | 397.52 | J/mol×K | 809.40 | Joback Calculated Property |
| η | [0.0001940; 0.0019162] | Pa×s | [343.53; 584.44] |
|
| η | 0.0019162 | Pa×s | 343.53 | Joback Calculated Property |
| η | 0.0010714 | Pa×s | 383.68 | Joback Calculated Property |
| η | 0.0006687 | Pa×s | 423.83 | Joback Calculated Property |
| η | 0.0004529 | Pa×s | 463.99 | Joback Calculated Property |
| η | 0.0003264 | Pa×s | 504.14 | Joback Calculated Property |
| η | 0.0002468 | Pa×s | 544.29 | Joback Calculated Property |
| η | 0.0001940 | Pa×s | 584.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethyl 2-(4-bromophenyl)acetate.
Sources
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