- InChI
- InChI=1S/C9H14BrClO2/c10-6-3-1-2-5-9(12)13-8-4-7-11/h4,7H,1-3,5-6,8H2/b7-4+
- InChI Key
- UXLNBKPHAASWHX-QPJJXVBHSA-N
- Formula
- C9H14BrClO2
- SMILES
- O=C(CCCCCBr)OCC=CCl
- Molecular Weight1
- 269.56
- 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° | -126.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.08 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.54 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.56 | kJ/mol | Joback Calculated Property |
| log10WS | -3.39 | Crippen Calculated Property | |
| logPoct/wat | 3.237 | Crippen Calculated Property | |
| McVol | 170.550 | ml/mol | McGowan Calculated Property |
| Pc | 2624.46 | kPa | Joback Calculated Property |
| Inp | 1614.00 | NIST | |
| Tboil | 589.36 | K | Joback Calculated Property |
| Tc | 789.24 | K | Joback Calculated Property |
| Tfus | 347.99 | K | Joback Calculated Property |
| Vc | 0.654 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [372.52; 433.10] | J/mol×K | [589.36; 789.24] | 
|
| Cp,gas | 372.52 | J/mol×K | 589.36 | Joback Calculated Property |
| Cp,gas | 384.10 | J/mol×K | 622.67 | Joback Calculated Property |
| Cp,gas | 395.04 | J/mol×K | 655.99 | Joback Calculated Property |
| Cp,gas | 405.39 | J/mol×K | 689.30 | Joback Calculated Property |
| Cp,gas | 415.17 | J/mol×K | 722.62 | Joback Calculated Property |
| Cp,gas | 424.39 | J/mol×K | 755.93 | Joback Calculated Property |
| Cp,gas | 433.10 | J/mol×K | 789.24 | Joback Calculated Property |
| η | [0.0001939; 0.0019437] | Pa×s | [347.99; 589.36] |
|
| η | 0.0019437 | Pa×s | 347.99 | Joback Calculated Property |
| η | 0.0010848 | Pa×s | 388.22 | Joback Calculated Property |
| η | 0.0006755 | Pa×s | 428.45 | Joback Calculated Property |
| η | 0.0004563 | Pa×s | 468.68 | Joback Calculated Property |
| η | 0.0003279 | Pa×s | 508.90 | Joback Calculated Property |
| η | 0.0002474 | Pa×s | 549.13 | Joback Calculated Property |
| η | 0.0001939 | Pa×s | 589.36 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 6-Bromohexanoic acid, 3-chloroprop-2-enyl ester.
Sources
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