- InChI
- InChI=1S/C8H15BrO2/c1-6(2)4-5-11-8(10)7(3)9/h6-7H,4-5H2,1-3H3
- InChI Key
- GVDWMKVPTHSZKA-UHFFFAOYSA-N
- Formula
- C8H15BrO2
- SMILES
- CC(C)CCOC(=O)C(C)Br
- Molecular Weight1
- 223.11
- CAS
- 86711-74-2
- Other Names
-
- Propanoic acid, 2-bromo, 3-methylbutyl ester
- Propanoic acid, 2-bromo, isopentyl ester
- Isopentyl 2-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° | -208.00 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -437.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.34 | Crippen Calculated Property | |
| logPoct/wat | 2.359 | Crippen Calculated Property | |
| McVol | 148.520 | ml/mol | McGowan Calculated Property |
| Pc | 2906.11 | kPa | Joback Calculated Property |
| Inp | [1156.00; 1163.00] |
|
|
| Inp | 1163.00 | NIST | |
| Inp | 1156.00 | NIST | |
| I | 1540.00 | NIST | |
| Tboil | 524.01 | K | Joback Calculated Property |
| Tc | 721.87 | K | Joback Calculated Property |
| Tfus | 281.88 | K | Joback Calculated Property |
| Vc | 0.557 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [320.93; 387.67] | J/mol×K | [524.01; 721.87] |
|
| Cp,gas | 320.93 | J/mol×K | 524.01 | Joback Calculated Property |
| Cp,gas | 333.49 | J/mol×K | 556.99 | Joback Calculated Property |
| Cp,gas | 345.46 | J/mol×K | 589.96 | Joback Calculated Property |
| Cp,gas | 356.85 | J/mol×K | 622.94 | Joback Calculated Property |
| Cp,gas | 367.67 | J/mol×K | 655.92 | Joback Calculated Property |
| Cp,gas | 377.94 | J/mol×K | 688.90 | Joback Calculated Property |
| Cp,gas | 387.67 | J/mol×K | 721.87 | Joback Calculated Property |
| η | [0.0002415; 0.0045596] | Pa×s | [281.88; 524.01] |
|
| η | 0.0045596 | Pa×s | 281.88 | Joback Calculated Property |
| η | 0.0020562 | Pa×s | 322.24 | Joback Calculated Property |
| η | 0.0011072 | Pa×s | 362.59 | Joback Calculated Property |
| η | 0.0006748 | Pa×s | 402.94 | Joback Calculated Property |
| η | 0.0004501 | Pa×s | 443.30 | Joback Calculated Property |
| η | 0.0003212 | Pa×s | 483.65 | Joback Calculated Property |
| η | 0.0002415 | Pa×s | 524.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromopropionic acid, 3-methylbutyl ester.
Sources
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