- InChI
- InChI=1S/C9H17BrO2/c1-7(2)8(3)12-9(11)5-4-6-10/h7-8H,4-6H2,1-3H3
- InChI Key
- YRPLOBCIKDOYHQ-UHFFFAOYSA-N
- Formula
- C9H17BrO2
- SMILES
- CC(C)C(C)OC(=O)CCCBr
- Molecular Weight1
- 237.13
- 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.
- 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° | -199.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.12 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.44 | kJ/mol | Joback Calculated Property |
| log10WS | -2.75 | Crippen Calculated Property | |
| logPoct/wat | 2.749 | Crippen Calculated Property | |
| McVol | 162.610 | ml/mol | McGowan Calculated Property |
| Pc | 2627.15 | kPa | Joback Calculated Property |
| Inp | [1327.00; 1327.00] |
|
|
| Inp | 1327.00 | NIST | |
| Inp | 1327.00 | NIST | |
| Tboil | 546.89 | K | Joback Calculated Property |
| Tc | 742.11 | K | Joback Calculated Property |
| Tfus | 293.15 | K | Joback Calculated Property |
| Vc | 0.614 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [366.43; 437.87] | J/mol×K | [546.89; 742.11] |
|
| Cp,gas | 366.43 | J/mol×K | 546.89 | Joback Calculated Property |
| Cp,gas | 379.88 | J/mol×K | 579.43 | Joback Calculated Property |
| Cp,gas | 392.70 | J/mol×K | 611.96 | Joback Calculated Property |
| Cp,gas | 404.89 | J/mol×K | 644.50 | Joback Calculated Property |
| Cp,gas | 416.48 | J/mol×K | 677.03 | Joback Calculated Property |
| Cp,gas | 427.46 | J/mol×K | 709.57 | Joback Calculated Property |
| Cp,gas | 437.87 | J/mol×K | 742.11 | Joback Calculated Property |
| η | [0.0002165; 0.0042885] | Pa×s | [293.15; 546.89] |
|
| η | 0.0042885 | Pa×s | 293.15 | Joback Calculated Property |
| η | 0.0019052 | Pa×s | 335.44 | Joback Calculated Property |
| η | 0.0010150 | Pa×s | 377.73 | Joback Calculated Property |
| η | 0.0006139 | Pa×s | 420.02 | Joback Calculated Property |
| η | 0.0004070 | Pa×s | 462.31 | Joback Calculated Property |
| η | 0.0002891 | Pa×s | 504.60 | Joback Calculated Property |
| η | 0.0002165 | Pa×s | 546.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 3-methylbut-2-yl ester.
Sources
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