- InChI
- InChI=1S/C7H13BrO2/c1-5(2)4-10-7(9)6(3)8/h5-6H,4H2,1-3H3
- InChI Key
- MAYJUJUXGCDPPX-UHFFFAOYSA-N
- Formula
- C7H13BrO2
- SMILES
- CC(C)COC(=O)C(C)Br
- Molecular Weight1
- 209.08
- CAS
- 69122-46-9
- Other Names
-
- Propanoic acid, 2-bromo-, 2-methylpropyl ester
- 2-Bromopropionic acid, 2-methylpropyl ester
- Propanoic acid, 2-bromo, isobutyl ester
- Isobutyl 2-bromopropanoate
- 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.
- I : 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 | 0.5020 | Relay (1.0) Calculated Property | |
| ΔfG° | -216.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -507.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.09 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.969 | Crippen Calculated Property | |
| McVol | 134.430 | ml/mol | McGowan Calculated Property |
| Pc | 3231.98 | kPa | Joback Calculated Property |
| Inp | [1056.00; 1063.00] |
|
|
| Inp | 1063.00 | NIST | |
| Inp | 1056.00 | NIST | |
| Inp | 1063.00 | NIST | |
| I | 1438.00 | NIST | |
| Tboil | 455.74 | K | Relay (1.0) Calculated Property |
| Tc | 636.30 | K | Relay (1.0) Calculated Property |
| Tfus | 280.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.488 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.34; 338.71] | J/mol×K | [501.13; 701.72] |
|
| Cp,gas | 277.34 | J/mol×K | 501.13 | Joback Calculated Property |
| Cp,gas | 288.87 | J/mol×K | 534.56 | Joback Calculated Property |
| Cp,gas | 299.87 | J/mol×K | 567.99 | Joback Calculated Property |
| Cp,gas | 310.34 | J/mol×K | 601.42 | Joback Calculated Property |
| Cp,gas | 320.30 | J/mol×K | 634.85 | Joback Calculated Property |
| Cp,gas | 329.75 | J/mol×K | 668.28 | Joback Calculated Property |
| Cp,gas | 338.71 | J/mol×K | 701.72 | Joback Calculated Property |
| η | [0.0002675; 0.0047978] | Pa×s | [270.61; 501.13] |
|
| η | 0.0047978 | Pa×s | 270.61 | Joback Calculated Property |
| η | 0.0021989 | Pa×s | 309.03 | Joback Calculated Property |
| η | 0.0011975 | Pa×s | 347.45 | Joback Calculated Property |
| η | 0.0007361 | Pa×s | 385.87 | Joback Calculated Property |
| η | 0.0004941 | Pa×s | 424.29 | Joback Calculated Property |
| η | 0.0003544 | Pa×s | 462.71 | Joback Calculated Property |
| η | 0.0002675 | Pa×s | 501.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to iso-Butyl 2-bromopropionate.
Sources
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