- InChI
- InChI=1S/C7H13BrO2/c1-3-4-5-10-7(9)6(2)8/h6H,3-5H2,1-2H3
- InChI Key
- INMAEXGIVZJYIJ-UHFFFAOYSA-N
- Formula
- C7H13BrO2
- SMILES
- CCCCOC(=O)C(C)Br
- Molecular Weight1
- 209.08
- CAS
- 41145-84-0
- Other Names
-
- Butyl 2-bromopropanoate
- butyl 2-bromopropionate
- 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 | 0.5309 | Relay (1.0) Calculated Property | |
| ΔfG° | -213.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -491.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 18.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.12 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.15 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.113 | Crippen Calculated Property | |
| McVol | 134.430 | ml/mol | McGowan Calculated Property |
| Pc | 3202.78 | kPa | Joback Calculated Property |
| Inp | [1098.00; 1102.00] |
|
|
| Inp | 1102.00 | NIST | |
| Inp | 1098.00 | NIST | |
| I | [1494.00; 1494.00] |
|
|
| I | 1494.00 | NIST | |
| I | 1494.00 | NIST | |
| Tboil | 459.65 | K | Relay (1.0) Calculated Property |
| Tc | 644.08 | K | Relay (1.0) Calculated Property |
| Tfus | 248.32 | K | Relay (1.0) Calculated Property |
| Vc | 0.492 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [277.07; 336.97] | J/mol×K | [501.57; 697.81] |
|
| Cp,gas | 277.07 | J/mol×K | 501.57 | Joback Calculated Property |
| Cp,gas | 288.28 | J/mol×K | 534.28 | Joback Calculated Property |
| Cp,gas | 298.99 | J/mol×K | 566.98 | Joback Calculated Property |
| Cp,gas | 309.20 | J/mol×K | 599.69 | Joback Calculated Property |
| Cp,gas | 318.93 | J/mol×K | 632.40 | Joback Calculated Property |
| Cp,gas | 328.18 | J/mol×K | 665.11 | Joback Calculated Property |
| Cp,gas | 336.97 | J/mol×K | 697.81 | Joback Calculated Property |
| η | [0.0002828; 0.0034561] | Pa×s | [285.61; 501.57] |
|
| η | 0.0034561 | Pa×s | 285.61 | Joback Calculated Property |
| η | 0.0018031 | Pa×s | 321.60 | Joback Calculated Property |
| η | 0.0010723 | Pa×s | 357.60 | Joback Calculated Property |
| η | 0.0007013 | Pa×s | 393.59 | Joback Calculated Property |
| η | 0.0004925 | Pa×s | 429.58 | Joback Calculated Property |
| η | 0.0003653 | Pa×s | 465.58 | Joback Calculated Property |
| η | 0.0002828 | Pa×s | 501.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-bromo-, butyl ester.
Sources
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