- InChI
- InChI=1S/C5H9BrO2/c1-4(2)8-5(7)3-6/h4H,3H2,1-2H3
- InChI Key
- JCWLEWKPXYZHGQ-UHFFFAOYSA-N
- Formula
- C5H9BrO2
- SMILES
- CC(C)OC(=O)CBr
- Molecular Weight1
- 181.03
- CAS
- 29921-57-1
- Other Names
-
- BrCH2C(O)OCH(CH3)2
- Acetic acid, bromo-, 1-methylethyl ester
- Bromoacetic acid, isopropyl ester
- Acetic acid, 2-bromo-, 1-methylethyl ester
- Isopropyl «alpha»-bromoacetate
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.4898 | Relay (1.0) Calculated Property | |
| ΔfG° | -230.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -471.08 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.80 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.10 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.50 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.333 | Crippen Calculated Property | |
| McVol | 106.250 | ml/mol | McGowan Calculated Property |
| Pc | 4031.24 | kPa | Joback Calculated Property |
| Inp | [906.00; 949.00] |
|
|
| Inp | 916.20 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 906.00 | NIST | |
| Inp | 949.00 | NIST | |
| I | [1365.00; 1365.00] |
|
|
| I | 1365.00 | NIST | |
| I | 1365.00 | NIST | |
| Tboil | 418.69 | K | Relay (1.0) Calculated Property |
| Tc | 611.98 | K | Relay (1.0) Calculated Property |
| Tfus | 261.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.390 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.09; 243.15] | J/mol×K | [455.81; 657.09] |
|
| Cp,gas | 196.09 | J/mol×K | 455.81 | Joback Calculated Property |
| Cp,gas | 204.86 | J/mol×K | 489.36 | Joback Calculated Property |
| Cp,gas | 213.25 | J/mol×K | 522.90 | Joback Calculated Property |
| Cp,gas | 221.27 | J/mol×K | 556.45 | Joback Calculated Property |
| Cp,gas | 228.93 | J/mol×K | 590.00 | Joback Calculated Property |
| Cp,gas | 236.22 | J/mol×K | 623.55 | Joback Calculated Property |
| Cp,gas | 243.15 | J/mol×K | 657.09 | Joback Calculated Property |
| η | [0.0003362; 0.0035835] | Pa×s | [263.07; 455.81] |
|
| η | 0.0035835 | Pa×s | 263.07 | Joback Calculated Property |
| η | 0.0019491 | Pa×s | 295.19 | Joback Calculated Property |
| η | 0.0011948 | Pa×s | 327.32 | Joback Calculated Property |
| η | 0.0007993 | Pa×s | 359.44 | Joback Calculated Property |
| η | 0.0005712 | Pa×s | 391.56 | Joback Calculated Property |
| η | 0.0004295 | Pa×s | 423.69 | Joback Calculated Property |
| η | 0.0003362 | Pa×s | 455.81 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 333.20 | K | 1.30 | NIST |
Similar Compounds
Find more compounds similar to Isopropyl bromoacetate.
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