- InChI
- InChI=1S/C6H11BrO2/c1-4(2)9-6(8)5(3)7/h4-5H,1-3H3
- InChI Key
- ODCLWDCSAGRHKS-UHFFFAOYSA-N
- Formula
- C6H11BrO2
- SMILES
- CC(C)OC(=O)C(C)Br
- Molecular Weight1
- 195.05
- Other Names
-
- Propanoic acid, 2-bromo, isopropyl ester
- 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° | -224.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -396.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.77 | kJ/mol | Joback Calculated Property |
| log10WS | -1.85 | Crippen Calculated Property | |
| logPoct/wat | 1.721 | Crippen Calculated Property | |
| McVol | 120.340 | ml/mol | McGowan Calculated Property |
| Pc | 3615.89 | kPa | Joback Calculated Property |
| Inp | [945.00; 947.00] |
|
|
| Inp | 947.00 | NIST | |
| Inp | 945.00 | NIST | |
| Inp | 947.00 | NIST | |
| I | 1316.00 | NIST | |
| Tboil | 478.25 | K | Joback Calculated Property |
| Tc | 681.58 | K | Joback Calculated Property |
| Tfus | 259.34 | K | Joback Calculated Property |
| Vc | 0.446 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.75; 291.03] | J/mol×K | [478.25; 681.58] |
|
| Cp,gas | 235.75 | J/mol×K | 478.25 | Joback Calculated Property |
| Cp,gas | 246.12 | J/mol×K | 512.14 | Joback Calculated Property |
| Cp,gas | 256.02 | J/mol×K | 546.03 | Joback Calculated Property |
| Cp,gas | 265.45 | J/mol×K | 579.91 | Joback Calculated Property |
| Cp,gas | 274.43 | J/mol×K | 613.80 | Joback Calculated Property |
| Cp,gas | 282.95 | J/mol×K | 647.69 | Joback Calculated Property |
| Cp,gas | 291.03 | J/mol×K | 681.58 | Joback Calculated Property |
| η | [0.0002941; 0.0049896] | Pa×s | [259.34; 478.25] |
|
| η | 0.0049896 | Pa×s | 259.34 | Joback Calculated Property |
| η | 0.0023268 | Pa×s | 295.83 | Joback Calculated Property |
| η | 0.0012829 | Pa×s | 332.31 | Joback Calculated Property |
| η | 0.0007958 | Pa×s | 368.80 | Joback Calculated Property |
| η | 0.0005380 | Pa×s | 405.28 | Joback Calculated Property |
| η | 0.0003880 | Pa×s | 441.76 | Joback Calculated Property |
| η | 0.0002941 | Pa×s | 478.25 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isopropyl 2-bromopropanoate.
Sources
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