- InChI
- InChI=1S/C8H14BrClO2/c1-6(2)3-4-12-8(11)7(10)5-9/h6-7H,3-5H2,1-2H3
- InChI Key
- JRRKUJZWCOAKNC-UHFFFAOYSA-N
- Formula
- C8H14BrClO2
- SMILES
- CC(C)CCOC(=O)C(Cl)CBr
- Molecular Weight1
- 257.55
- 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 | 0.5801 | Relay (1.0) Calculated Property | |
| ΔfG° | -219.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -574.52 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.70 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 61.28 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.28 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.22 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.578 | Crippen Calculated Property | |
| McVol | 160.760 | ml/mol | McGowan Calculated Property |
| Pc | 2793.56 | kPa | Joback Calculated Property |
| Inp | 1311.00 | NIST | |
| Tboil | 503.31 | K | Relay (1.0) Calculated Property |
| Tc | 700.06 | K | Relay (1.0) Calculated Property |
| Tfus | 285.15 | K | Relay (1.0) Calculated Property |
| Vc | 0.563 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [347.00; 409.50] | J/mol×K | [561.44; 763.97] | 
|
| Cp,gas | 347.00 | J/mol×K | 561.44 | Joback Calculated Property |
| Cp,gas | 358.90 | J/mol×K | 595.20 | Joback Calculated Property |
| Cp,gas | 370.18 | J/mol×K | 628.95 | Joback Calculated Property |
| Cp,gas | 380.87 | J/mol×K | 662.71 | Joback Calculated Property |
| Cp,gas | 390.98 | J/mol×K | 696.46 | Joback Calculated Property |
| Cp,gas | 400.52 | J/mol×K | 730.22 | Joback Calculated Property |
| Cp,gas | 409.50 | J/mol×K | 763.97 | Joback Calculated Property |
| η | [0.0002244; 0.0036916] | Pa×s | [311.80; 561.44] |
|
| η | 0.0036916 | Pa×s | 311.80 | Joback Calculated Property |
| η | 0.0017587 | Pa×s | 353.41 | Joback Calculated Property |
| η | 0.0009795 | Pa×s | 395.01 | Joback Calculated Property |
| η | 0.0006099 | Pa×s | 436.62 | Joback Calculated Property |
| η | 0.0004124 | Pa×s | 478.23 | Joback Calculated Property |
| η | 0.0002969 | Pa×s | 519.83 | Joback Calculated Property |
| η | 0.0002244 | Pa×s | 561.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, 3-methylbutyl ester.
Sources
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