- InChI
- InChI=1S/C6H10BrClO2/c1-2-3-10-6(9)5(8)4-7/h5H,2-4H2,1H3
- InChI Key
- RXRSVLDNAQZHQH-UHFFFAOYSA-N
- Formula
- C6H10BrClO2
- SMILES
- CCCOC(=O)C(Cl)CBr
- Molecular Weight1
- 229.50
- 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 | 0.5346 | Relay (1.0) Calculated Property | |
| ΔfG° | -234.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -515.81 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.04 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.37 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.30 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.942 | Crippen Calculated Property | |
| McVol | 132.580 | ml/mol | McGowan Calculated Property |
| Pc | 3427.87 | kPa | Joback Calculated Property |
| Inp | [1158.00; 1158.00] |
|
|
| Inp | 1158.00 | NIST | |
| Inp | 1158.00 | NIST | |
| Tboil | 476.51 | K | Relay (1.0) Calculated Property |
| Tc | 673.44 | K | Relay (1.0) Calculated Property |
| Tfus | 283.80 | K | Relay (1.0) Calculated Property |
| Vc | 0.468 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [259.05; 309.56] | J/mol×K | [516.12; 720.33] |
|
| Cp,gas | 259.05 | J/mol×K | 516.12 | Joback Calculated Property |
| Cp,gas | 268.61 | J/mol×K | 550.15 | Joback Calculated Property |
| Cp,gas | 277.71 | J/mol×K | 584.19 | Joback Calculated Property |
| Cp,gas | 286.34 | J/mol×K | 618.22 | Joback Calculated Property |
| Cp,gas | 294.52 | J/mol×K | 652.26 | Joback Calculated Property |
| Cp,gas | 302.26 | J/mol×K | 686.29 | Joback Calculated Property |
| Cp,gas | 309.56 | J/mol×K | 720.33 | Joback Calculated Property |
| η | [0.0002986; 0.0031129] | Pa×s | [304.26; 516.12] |
|
| η | 0.0031129 | Pa×s | 304.26 | Joback Calculated Property |
| η | 0.0017190 | Pa×s | 339.57 | Joback Calculated Property |
| η | 0.0010616 | Pa×s | 374.88 | Joback Calculated Property |
| η | 0.0007123 | Pa×s | 410.19 | Joback Calculated Property |
| η | 0.0005092 | Pa×s | 445.50 | Joback Calculated Property |
| η | 0.0003823 | Pa×s | 480.81 | Joback Calculated Property |
| η | 0.0002986 | Pa×s | 516.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, propyl ester.
Sources
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