- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [216.37; 261.67] | J/mol×K | [475.37; 679.45] |
|
| Cp,gas | 216.37 | J/mol×K | 475.37 | Joback Calculated Property |
| Cp,gas | 225.03 | J/mol×K | 509.38 | Joback Calculated Property |
| Cp,gas | 233.24 | J/mol×K | 543.40 | Joback Calculated Property |
| Cp,gas | 241.00 | J/mol×K | 577.41 | Joback Calculated Property |
| Cp,gas | 248.32 | J/mol×K | 611.42 | Joback Calculated Property |
| Cp,gas | 255.21 | J/mol×K | 645.44 | Joback Calculated Property |
| Cp,gas | 261.67 | J/mol×K | 679.45 | Joback Calculated Property |
| η | [0.0003113; 0.0052440] | Pa×s | [263.16; 475.37] |
|
| η | 0.0052440 | Pa×s | 263.16 | Joback Calculated Property |
| η | 0.0024783 | Pa×s | 298.53 | Joback Calculated Property |
| η | 0.0013727 | Pa×s | 333.90 | Joback Calculated Property |
| η | 0.0008515 | Pa×s | 369.26 | Joback Calculated Property |
| η | 0.0005742 | Pa×s | 404.63 | Joback Calculated Property |
| η | 0.0004125 | Pa×s | 440.00 | Joback Calculated Property |
| η | 0.0003113 | Pa×s | 475.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, ethyl ester.
Sources
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