- InChI
- InChI=1S/C6H10Br2O2/c1-3-10-6(9)5(8)4(2)7/h4-5H,3H2,1-2H3
- InChI Key
- YPZLAXFGOUPECS-UHFFFAOYSA-N
- Formula
- C6H10Br2O2
- SMILES
- CCOC(=O)C(Br)C(C)Br
- Molecular Weight1
- 273.95
- Other Names
-
- Butyric acid, 2,3-dibromo-, ethyl ester
- Ethyl 2,3-dibromobutanoate
- Ethyl 2,3-dibromobutyrate
- Ethyl «alpha»,«beta»-dibromobutyrate
- Ethyl-2,3-dibromo butyrate
- 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).
- 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 | 0.5105 | Relay (1.0) Calculated Property | |
| ΔfG° | -286.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -464.28 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.25 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.52 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.096 | Crippen Calculated Property | |
| McVol | 137.840 | ml/mol | McGowan Calculated Property |
| Pc | 3740.80 | kPa | Joback Calculated Property |
| Tboil | 478.38 | K | Relay (1.0) Calculated Property |
| Tc | 689.16 | K | Relay (1.0) Calculated Property |
| Tfus | 331.65 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.478 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [176.45; 356.20] | 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 | 3.58610e+01 | |||
| Coefficient B | 6.07240e-01 | |||
| Coefficient C | -3.57200e-04 | |||
| Coefficient D | 7.03000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 176.45 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 209.10 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 238.06 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 263.55 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 285.80 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 305.04 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 321.47 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 335.33 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 346.83 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 356.20 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0021679; 0.0002698] | Pa×s | [331.65; 519.65] |
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 | -1.18940e+01 | |||
| Coefficient B | 1.91032e+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. | 331.65 | |||
| Temperature range, max. | 519.65 | |||
| η | 0.0021679 | Pa×s | 331.65 | Calculated Property |
| η | 0.0015411 | Pa×s | 352.54 | Calculated Property |
| η | 0.0011381 | Pa×s | 373.43 | Calculated Property |
| η | 0.0008679 | Pa×s | 394.32 | Calculated Property |
| η | 0.0006802 | Pa×s | 415.20 | Calculated Property |
| η | 0.0005457 | Pa×s | 436.09 | Calculated Property |
| η | 0.0004467 | Pa×s | 456.98 | Calculated Property |
| η | 0.0003721 | Pa×s | 477.87 | Calculated Property |
| η | 0.0003147 | Pa×s | 498.76 | Calculated Property |
| η | 0.0002698 | Pa×s | 519.65 | Calculated Property |
Similar Compounds
Find more compounds similar to Butanoic acid, 2,3-dibromo-, ethyl ester.
Sources
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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