- InChI
- InChI=1S/C8H12BrClO2/c9-5-2-1-4-8(11)12-7-3-6-10/h3,6H,1-2,4-5,7H2/b6-3+
- InChI Key
- WKBNROJJOCKZAN-ZZXKWVIFSA-N
- Formula
- C8H12BrClO2
- SMILES
- O=C(CCCCBr)OCC=CCl
- Molecular Weight1
- 255.54
- 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° | -134.83 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -325.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 28.95 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.34 | kJ/mol | Joback Calculated Property |
| log10WS | -2.97 | Crippen Calculated Property | |
| logPoct/wat | 2.847 | Crippen Calculated Property | |
| McVol | 156.460 | ml/mol | McGowan Calculated Property |
| Pc | 2902.98 | kPa | Joback Calculated Property |
| Inp | [1567.60; 1567.60] |
|
|
| Inp | 1567.60 | NIST | |
| Inp | 1567.60 | NIST | |
| Tboil | 566.48 | K | Joback Calculated Property |
| Tc | 769.28 | K | Joback Calculated Property |
| Tfus | 336.72 | K | Joback Calculated Property |
| Vc | 0.599 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [326.58; 382.55] | J/mol×K | [566.48; 769.28] |
|
| Cp,gas | 326.58 | J/mol×K | 566.48 | Joback Calculated Property |
| Cp,gas | 337.30 | J/mol×K | 600.28 | Joback Calculated Property |
| Cp,gas | 347.42 | J/mol×K | 634.08 | Joback Calculated Property |
| Cp,gas | 356.99 | J/mol×K | 667.88 | Joback Calculated Property |
| Cp,gas | 366.01 | J/mol×K | 701.68 | Joback Calculated Property |
| Cp,gas | 374.52 | J/mol×K | 735.48 | Joback Calculated Property |
| Cp,gas | 382.55 | J/mol×K | 769.28 | Joback Calculated Property |
| η | [0.0002172; 0.0020522] | Pa×s | [336.72; 566.48] |
|
| η | 0.0020522 | Pa×s | 336.72 | Joback Calculated Property |
| η | 0.0011659 | Pa×s | 375.01 | Joback Calculated Property |
| η | 0.0007356 | Pa×s | 413.31 | Joback Calculated Property |
| η | 0.0005018 | Pa×s | 451.60 | Joback Calculated Property |
| η | 0.0003634 | Pa×s | 489.89 | Joback Calculated Property |
| η | 0.0002758 | Pa×s | 528.19 | Joback Calculated Property |
| η | 0.0002172 | Pa×s | 566.48 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 5-Bromovaleric acid, 3-chloroprop-2-enyl ester.
Sources
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