- InChI
- InChI=1S/C7H13BrO2/c1-4-10-7(9)6(8)5(2)3/h5-6H,4H2,1-3H3
- InChI Key
- WNFUWONOILPKNX-UHFFFAOYSA-N
- Formula
- C7H13BrO2
- SMILES
- CCOC(=O)C(Br)C(C)C
- Molecular Weight1
- 209.08
- Other Names
-
- Ethyl «alpha»-bromoisovalerate
- Ethyl 2-bromo-3-methylbutyrate
- Ethyl 2-bromoisovalerate
- «alpha»-Bromoisovaleric acid ethyl ester
- Butyric acid, 2-bromo-3-methyl-, ethyl ester
- Ethyl 2-bromo-3-methylbutanoate
- 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 | 0.4668 | Relay (1.0) Calculated Property | |
| ΔfG° | -292.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.91 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.87 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.44 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.969 | Crippen Calculated Property | |
| McVol | 134.430 | ml/mol | McGowan Calculated Property |
| Pc | 3086.42 | kPa | Joback Calculated Property |
| Tboil | 435.29 | K | Relay (1.0) Calculated Property |
| Tc | 646.77 | K | Relay (1.0) Calculated Property |
| Tfus | 270.16 | K | Relay (1.0) Calculated Property |
| Vc | 0.479 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [273.65; 336.36] | J/mol×K | [483.26; 680.83] | 
|
| Cp,gas | 273.65 | J/mol×K | 483.26 | Joback Calculated Property |
| Cp,gas | 285.51 | J/mol×K | 516.19 | Joback Calculated Property |
| Cp,gas | 296.79 | J/mol×K | 549.12 | Joback Calculated Property |
| Cp,gas | 307.51 | J/mol×K | 582.04 | Joback Calculated Property |
| Cp,gas | 317.67 | J/mol×K | 614.97 | Joback Calculated Property |
| Cp,gas | 327.28 | J/mol×K | 647.90 | Joback Calculated Property |
| Cp,gas | 336.36 | J/mol×K | 680.83 | Joback Calculated Property |
| η | [0.0002518; 0.0090675] | Pa×s | [240.78; 483.26] |
|
| η | 0.0090675 | Pa×s | 240.78 | Joback Calculated Property |
| η | 0.0032485 | Pa×s | 281.19 | Joback Calculated Property |
| η | 0.0015064 | Pa×s | 321.61 | Joback Calculated Property |
| η | 0.0008293 | Pa×s | 362.02 | Joback Calculated Property |
| η | 0.0005147 | Pa×s | 402.43 | Joback Calculated Property |
| η | 0.0003485 | Pa×s | 442.85 | Joback Calculated Property |
| η | 0.0002518 | Pa×s | 483.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-bromo-3-methyl-, ethyl ester.
Sources
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