- InChI
- InChI=1S/C6H11BrO2/c1-3-5(7)6(8)9-4-2/h5H,3-4H2,1-2H3
- InChI Key
- XIMFCGSNSKXPBO-UHFFFAOYSA-N
- Formula
- C6H11BrO2
- SMILES
- CCOC(=O)C(Br)CC
- Molecular Weight1
- 195.05
- CAS
- 533-68-6
- Other Names
-
- Butyric acid, 2-bromo-, ethyl ester
- Ethyl «alpha»-bromobutyrate
- Ethyl 2-bromobutanoate
- Ethyl 2-bromobutyrate
- «alpha»-Bromobutyric acid ethyl ester
- Ethyl «alpha»-bromo-n-butyrate
- «alpha»-Bromo-n-butyric acid ethyl ester
- 2-Bromobutanoic acid ethyl ester
- NSC 8855
- 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.
- 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 |
|---|---|---|---|
| ω | 0.4695 | Relay (1.0) Calculated Property | |
| ΔfG° | -222.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 51.38 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.723 | Crippen Calculated Property | |
| McVol | 120.340 | ml/mol | McGowan Calculated Property |
| Pc | 3581.35 | kPa | Joback Calculated Property |
| Inp | 996.00 | NIST | |
| Tboil | 442.40 | K | Relay (1.0) Calculated Property |
| Tc | 629.66 | K | Relay (1.0) Calculated Property |
| Tfus | 255.09 | K | Relay (1.0) Calculated Property |
| Vc | 0.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [235.52; 289.37] | J/mol×K | [478.69; 677.47] | 
|
| Cp,gas | 235.52 | J/mol×K | 478.69 | Joback Calculated Property |
| Cp,gas | 245.58 | J/mol×K | 511.82 | Joback Calculated Property |
| Cp,gas | 255.20 | J/mol×K | 544.95 | Joback Calculated Property |
| Cp,gas | 264.38 | J/mol×K | 578.08 | Joback Calculated Property |
| Cp,gas | 273.13 | J/mol×K | 611.21 | Joback Calculated Property |
| Cp,gas | 281.46 | J/mol×K | 644.34 | Joback Calculated Property |
| Cp,gas | 289.37 | J/mol×K | 677.47 | Joback Calculated Property |
| η | [0.0003098; 0.0035442] | Pa×s | [274.34; 478.69] |
|
| η | 0.0035442 | Pa×s | 274.34 | Joback Calculated Property |
| η | 0.0018866 | Pa×s | 308.40 | Joback Calculated Property |
| η | 0.0011385 | Pa×s | 342.46 | Joback Calculated Property |
| η | 0.0007528 | Pa×s | 376.51 | Joback Calculated Property |
| η | 0.0005331 | Pa×s | 410.57 | Joback Calculated Property |
| η | 0.0003980 | Pa×s | 444.63 | Joback Calculated Property |
| η | 0.0003098 | Pa×s | 478.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-bromo-, ethyl ester.
Sources
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