- InChI
- InChI=1S/C6H11BrO2/c1-4-9-5(8)6(2,3)7/h4H2,1-3H3
- InChI Key
- IOLQWGVDEFWYNP-UHFFFAOYSA-N
- Formula
- C6H11BrO2
- SMILES
- CCOC(=O)C(C)(C)Br
- Molecular Weight1
- 195.05
- CAS
- 600-00-0
- Other Names
-
- Ethyl «alpha»-bromoisobutyrate
- Ethyl 2-bromoisobutyrate
- Ethyl 2-bromo-2-methylpropionate
- «alpha»-Bromoisobutyric acid, ethyl ester
- Ethyl 2-bromo-2-methylpropanoate
- Propionic acid, 2-bromo-2-methyl-, ethyl ester
- 2-Bromo-2-methylpropanoic acid, ethyl ester
- Ethyl «alpha»-bromo-«alpha»-methylpropionate
- NSC 402034
- NSC 9465
- 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).
- 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 | 0.4241 | Relay (1.0) Calculated Property | |
| ΔfG° | -293.57 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -462.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.40 | kJ/mol | NIST |
| IE | 10.04 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.97 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 120.340 | ml/mol | McGowan Calculated Property |
| Pc | 3456.14 | kPa | Joback Calculated Property |
| Tboil | [436.20; 451.00] | K |
|
| Tboil | 436.20 | K | NIST |
| Tboil | 451.00 ± 1.00 | K | NIST |
| Tc | 627.30 | K | Relay (1.0) Calculated Property |
| Tfus | 234.72 | K | Relay (1.0) Calculated Property |
| Vc | 0.450 | m3/kmol | Relay (1.0) Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 339.20 | K | 1.50 | NIST |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [161.63; 347.52] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 6.56100e+00 | |||
| Coefficient B | 6.83060e-01 | |||
| Coefficient C | -4.51200e-04 | |||
| Coefficient D | 1.09100e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 161.63 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 196.57 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 227.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 253.67 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 276.52 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 296.02 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 312.53 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 326.39 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 337.93 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 347.52 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0058218; 0.0002984] | Pa×s | [261.93; 463.29] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.19817e+01 | |||
| Coefficient B | 1.79044e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 261.93 | |||
| Temperature range, max. | 463.29 | |||
| η | 0.0058218 | Pa×s | 261.93 | Calculated Property |
| η | 0.0033997 | Pa×s | 284.30 | Calculated Property |
| η | 0.0021474 | Pa×s | 306.68 | Calculated Property |
| η | 0.0014438 | Pa×s | 329.05 | Calculated Property |
| η | 0.0010211 | Pa×s | 351.42 | Calculated Property |
| η | 0.0007527 | Pa×s | 373.80 | Calculated Property |
| η | 0.0005743 | Pa×s | 396.17 | Calculated Property |
| η | 0.0004511 | Pa×s | 418.54 | Calculated Property |
| η | 0.0003630 | Pa×s | 440.91 | Calculated Property |
| η | 0.0002984 | Pa×s | 463.29 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 2-bromo-2-methyl-, ethyl ester.
Sources
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