- InChI
- InChI=1S/C8H14BrClO2/c1-2-3-4-5-12-8(11)7(10)6-9/h7H,2-6H2,1H3
- InChI Key
- BJGAORWEASREFN-UHFFFAOYSA-N
- Formula
- C8H14BrClO2
- SMILES
- CCCCCOC(=O)C(Cl)CBr
- Molecular Weight1
- 257.55
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -217.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -447.94 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.99 | kJ/mol | Joback Calculated Property |
| log10WS | -2.73 | Crippen Calculated Property | |
| logPoct/wat | 2.722 | Crippen Calculated Property | |
| McVol | 160.760 | ml/mol | McGowan Calculated Property |
| Pc | 2770.08 | kPa | Joback Calculated Property |
| Inp | 1349.00 | NIST | |
| Tboil | 561.88 | K | Joback Calculated Property |
| Tc | 760.30 | K | Joback Calculated Property |
| Tfus | 326.80 | K | Joback Calculated Property |
| Vc | 0.613 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [346.61; 407.80] | J/mol×K | [561.88; 760.30] | 
|
| Cp,gas | 346.61 | J/mol×K | 561.88 | Joback Calculated Property |
| Cp,gas | 358.21 | J/mol×K | 594.95 | Joback Calculated Property |
| Cp,gas | 369.23 | J/mol×K | 628.02 | Joback Calculated Property |
| Cp,gas | 379.69 | J/mol×K | 661.09 | Joback Calculated Property |
| Cp,gas | 389.59 | J/mol×K | 694.16 | Joback Calculated Property |
| Cp,gas | 398.96 | J/mol×K | 727.23 | Joback Calculated Property |
| Cp,gas | 407.80 | J/mol×K | 760.30 | Joback Calculated Property |
| η | [0.0002392; 0.0028158] | Pa×s | [326.80; 561.88] |
|
| η | 0.0028158 | Pa×s | 326.80 | Joback Calculated Property |
| η | 0.0014983 | Pa×s | 365.98 | Joback Calculated Property |
| η | 0.0009007 | Pa×s | 405.16 | Joback Calculated Property |
| η | 0.0005923 | Pa×s | 444.34 | Joback Calculated Property |
| η | 0.0004169 | Pa×s | 483.52 | Joback Calculated Property |
| η | 0.0003093 | Pa×s | 522.70 | Joback Calculated Property |
| η | 0.0002392 | Pa×s | 561.88 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, pentyl ester.
Sources
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