- InChI
- InChI=1S/C5H8BrClO2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3
- InChI Key
- QHNYTHIGYIAQCD-UHFFFAOYSA-N
- Formula
- C5H8BrClO2
- SMILES
- CCOC(=O)C(Cl)CBr
- Molecular Weight1
- 215.47
- 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 | 0.4796 | Relay (1.0) Calculated Property | |
| ΔfG° | -319.20 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -493.13 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 19.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 57.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.86 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.552 | Crippen Calculated Property | |
| McVol | 118.490 | ml/mol | McGowan Calculated Property |
| Pc | 3659.77 | kPa | Joback Calculated Property |
| Inp | [1070.00; 1070.00] |
|
|
| Inp | 1070.00 | NIST | |
| Inp | 1070.00 | NIST | |
| Tboil | 462.44 | K | Relay (1.0) Calculated Property |
| Tc | 668.32 | K | Relay (1.0) Calculated Property |
| Tfus | 284.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.421 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [154.96; 303.27] | 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 | 4.31520e+01 | |||
| Coefficient B | 4.74920e-01 | |||
| Coefficient C | -2.48600e-04 | |||
| Coefficient D | 3.38000e-08 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 154.96 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 181.55 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 205.36 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 226.50 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 245.08 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 261.20 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 274.97 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 286.51 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 295.90 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 303.27 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0052440; 0.0003107] | Pa×s | [263.16; 475.62] |
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 | -1.15772e+01 | |||
| Coefficient B | 1.66488e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 263.16 | |||
| Temperature range, max. | 475.62 | |||
| η | 0.0052440 | Pa×s | 263.16 | Calculated Property |
| η | 0.0031152 | Pa×s | 286.77 | Calculated Property |
| η | 0.0020032 | Pa×s | 310.37 | Calculated Property |
| η | 0.0013711 | Pa×s | 333.98 | Calculated Property |
| η | 0.0009866 | Pa×s | 357.59 | Calculated Property |
| η | 0.0007395 | Pa×s | 381.19 | Calculated Property |
| η | 0.0005732 | Pa×s | 404.80 | Calculated Property |
| η | 0.0004570 | Pa×s | 428.40 | Calculated Property |
| η | 0.0003730 | Pa×s | 452.01 | Calculated Property |
| η | 0.0003107 | Pa×s | 475.62 | Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, ethyl ester.
Sources
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