- InChI
- InChI=1S/C10H11BrO2/c1-7-4-3-5-9(6-7)13-10(12)8(2)11/h3-6,8H,1-2H3
- InChI Key
- KWELVYHWGJUSEY-UHFFFAOYSA-N
- Formula
- C10H11BrO2
- SMILES
- Cc1cccc(OC(=O)C(C)Br)c1
- Molecular Weight1
- 243.10
- 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 | 0.5624 | Relay (... Calculated Property | |
| ΔfG° | -85.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -320.67 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 19.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 67.10 | kJ/mol | Relay (... Calculated Property |
| IE | 8.67 | eV | Relay (... Calculated Property |
| log10WS | -3.01 | Relay (... Calculated Property | |
| logPoct/wat | 2.684 | Crippen Calculated Property | |
| McVol | 152.940 | ml/mol | McGowan Calculated Property |
| Pc | 3306.75 | kPa | Joback Calculated Property |
| Inp | [1450.00; 1450.00] |
|
|
| Inp | 1450.00 | NIST | |
| Inp | 1450.00 | NIST | |
| Tboil | 534.91 | K | Relay (... Calculated Property |
| Tc | 755.01 | K | Relay (... Calculated Property |
| Tfus | 321.66 | K | Relay (... Calculated Property |
| Vc | 0.540 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [337.54; 401.11] | J/mol×K | [601.87; 833.97] |
|
| Cp,gas | 337.54 | J/mol×K | 601.87 | Joback Calculated Property |
| Cp,gas | 350.14 | J/mol×K | 640.55 | Joback Calculated Property |
| Cp,gas | 361.89 | J/mol×K | 679.24 | Joback Calculated Property |
| Cp,gas | 372.84 | J/mol×K | 717.92 | Joback Calculated Property |
| Cp,gas | 383.01 | J/mol×K | 756.60 | Joback Calculated Property |
| Cp,gas | 392.43 | J/mol×K | 795.28 | Joback Calculated Property |
| Cp,gas | 401.11 | J/mol×K | 833.97 | Joback Calculated Property |
| η | [0.0001996; 0.0017544] | Pa×s | [358.36; 601.87] |
|
| η | 0.0017544 | Pa×s | 358.36 | Joback Calculated Property |
| η | 0.0010158 | Pa×s | 398.94 | Joback Calculated Property |
| η | 0.0006506 | Pa×s | 439.53 | Joback Calculated Property |
| η | 0.0004493 | Pa×s | 480.11 | Joback Calculated Property |
| η | 0.0003287 | Pa×s | 520.70 | Joback Calculated Property |
| η | 0.0002516 | Pa×s | 561.28 | Joback Calculated Property |
| η | 0.0001996 | Pa×s | 601.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionic acid, 3-methylphenyl ester.
Sources
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