- 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
-
- 2-Bromobutanoic acid ethyl ester
- Butyric acid, 2-bromo-, ethyl ester
- Ethyl 2-bromobutanoate
- Ethyl 2-bromobutyrate
- Ethyl «alpha»-bromo-n-butyrate
- Ethyl «alpha»-bromobutyrate
- NSC 8855
- «alpha»-Bromo-n-butyric acid ethyl ester
- «alpha»-Bromobutyric acid ethyl ester
- 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° | -298.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.05 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.43 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.05 | 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 | 3411.87 | kPa | Joback Calculated Property |
| Inp | [996.00; 1064.00] |
|
|
| Inp | 996.00 | NIST | |
| Inp | 1064.00 | NIST | |
| Inp | 996.00 | NIST | |
| Tboil | 450.20 | K | NIST |
| Tc | 635.21 | K | Relay (1.0) Calculated Property |
| Tfus | 249.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.440 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [232.44; 287.60] | J/mol×K | [460.82; 656.36] |
|
| Cp,gas | 232.44 | J/mol×K | 460.82 | Joback Calculated Property |
| Cp,gas | 242.82 | J/mol×K | 493.41 | Joback Calculated Property |
| Cp,gas | 252.72 | J/mol×K | 526.00 | Joback Calculated Property |
| Cp,gas | 262.13 | J/mol×K | 558.59 | Joback Calculated Property |
| Cp,gas | 271.08 | J/mol×K | 591.18 | Joback Calculated Property |
| Cp,gas | 279.57 | J/mol×K | 623.77 | Joback Calculated Property |
| Cp,gas | 287.60 | J/mol×K | 656.36 | Joback Calculated Property |
| η | [0.0002927; 0.0061689] | Pa×s | [244.51; 460.82] |
|
| η | 0.0061689 | Pa×s | 244.51 | Joback Calculated Property |
| η | 0.0026781 | Pa×s | 280.56 | Joback Calculated Property |
| η | 0.0014060 | Pa×s | 316.61 | Joback Calculated Property |
| η | 0.0008421 | Pa×s | 352.66 | Joback Calculated Property |
| η | 0.0005546 | Pa×s | 388.72 | Joback Calculated Property |
| η | 0.0003922 | Pa×s | 424.77 | Joback Calculated Property |
| η | 0.0002927 | Pa×s | 460.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2-bromo-, ethyl ester.
Sources
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