- InChI
- InChI=1S/C9H16BrClO2/c1-7(2)4-3-5-13-9(12)8(11)6-10/h7-8H,3-6H2,1-2H3
- InChI Key
- YEKNCNQJTIFJKB-UHFFFAOYSA-N
- Formula
- C9H16BrClO2
- SMILES
- CC(C)CCCOC(=O)C(Cl)CBr
- Molecular Weight1
- 271.58
- 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° | -211.51 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -473.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.83 | kJ/mol | Joback Calculated Property |
| log10WS | -2.91 | Crippen Calculated Property | |
| logPoct/wat | 2.968 | Crippen Calculated Property | |
| McVol | 174.850 | ml/mol | McGowan Calculated Property |
| Pc | 2530.27 | kPa | Joback Calculated Property |
| Inp | [1400.00; 1400.00] |
|
|
| Inp | 1400.00 | NIST | |
| Inp | 1400.00 | NIST | |
| Tboil | 584.32 | K | Joback Calculated Property |
| Tc | 783.95 | K | Joback Calculated Property |
| Tfus | 323.07 | K | Joback Calculated Property |
| Vc | 0.662 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.53; 460.42] | J/mol×K | [584.32; 783.95] |
|
| Cp,gas | 393.53 | J/mol×K | 584.32 | Joback Calculated Property |
| Cp,gas | 406.27 | J/mol×K | 617.59 | Joback Calculated Property |
| Cp,gas | 418.35 | J/mol×K | 650.86 | Joback Calculated Property |
| Cp,gas | 429.79 | J/mol×K | 684.13 | Joback Calculated Property |
| Cp,gas | 440.60 | J/mol×K | 717.40 | Joback Calculated Property |
| Cp,gas | 450.81 | J/mol×K | 750.68 | Joback Calculated Property |
| Cp,gas | 460.42 | J/mol×K | 783.95 | Joback Calculated Property |
| η | [0.0001987; 0.0034276] | Pa×s | [323.07; 584.32] |
|
| η | 0.0034276 | Pa×s | 323.07 | Joback Calculated Property |
| η | 0.0016085 | Pa×s | 366.61 | Joback Calculated Property |
| η | 0.0008864 | Pa×s | 410.15 | Joback Calculated Property |
| η | 0.0005477 | Pa×s | 453.70 | Joback Calculated Property |
| η | 0.0003681 | Pa×s | 497.24 | Joback Calculated Property |
| η | 0.0002638 | Pa×s | 540.78 | Joback Calculated Property |
| η | 0.0001987 | Pa×s | 584.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanoic acid, 3-bromo-2-chloro, 4-methylbutyl ester.
Sources
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