- InChI
- InChI=1S/C7H13BrO2/c1-2-3-6-10-7(9)4-5-8/h2-6H2,1H3
- InChI Key
- QDEAPWRQCUZSEZ-UHFFFAOYSA-N
- Formula
- C7H13BrO2
- SMILES
- CCCCOC(=O)CCBr
- Molecular Weight1
- 209.08
- Other Names
-
- Butyl 3-bromopropanoate
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -211.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -406.28 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.77 | kJ/mol | Joback Calculated Property |
| log10WS | -2.05 | Crippen Calculated Property | |
| logPoct/wat | 2.115 | Crippen Calculated Property | |
| McVol | 134.430 | ml/mol | McGowan Calculated Property |
| Pc | 3173.97 | kPa | Joback Calculated Property |
| Inp | 1175.00 | NIST | |
| I | [1646.00; 1646.00] |
|
|
| I | 1646.00 | NIST | |
| I | 1646.00 | NIST | |
| Tboil | 502.01 | K | Joback Calculated Property |
| Tc | 694.06 | K | Joback Calculated Property |
| Tfus | 300.61 | K | Joback Calculated Property |
| Vc | 0.513 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [276.81; 335.26] | J/mol×K | [502.01; 694.06] |
|
| Cp,gas | 276.81 | J/mol×K | 502.01 | Joback Calculated Property |
| Cp,gas | 287.70 | J/mol×K | 534.02 | Joback Calculated Property |
| Cp,gas | 298.13 | J/mol×K | 566.03 | Joback Calculated Property |
| Cp,gas | 308.09 | J/mol×K | 598.04 | Joback Calculated Property |
| Cp,gas | 317.59 | J/mol×K | 630.04 | Joback Calculated Property |
| Cp,gas | 326.65 | J/mol×K | 662.05 | Joback Calculated Property |
| Cp,gas | 335.26 | J/mol×K | 694.06 | Joback Calculated Property |
| η | [0.0002990; 0.0026071] | Pa×s | [300.61; 502.01] |
|
| η | 0.0026071 | Pa×s | 300.61 | Joback Calculated Property |
| η | 0.0015160 | Pa×s | 334.18 | Joback Calculated Property |
| η | 0.0009732 | Pa×s | 367.74 | Joback Calculated Property |
| η | 0.0006729 | Pa×s | 401.31 | Joback Calculated Property |
| η | 0.0004925 | Pa×s | 434.88 | Joback Calculated Property |
| η | 0.0003769 | Pa×s | 468.44 | Joback Calculated Property |
| η | 0.0002990 | Pa×s | 502.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo, butyl ester.
Sources
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