- InChI
- InChI=1S/C10H10BrClO2/c11-7-1-2-10(13)14-9-5-3-8(12)4-6-9/h3-6H,1-2,7H2
- InChI Key
- SFZQUTXYCIPZCO-UHFFFAOYSA-N
- Formula
- C10H10BrClO2
- SMILES
- O=C(CCCBr)Oc1ccc(Cl)cc1
- Molecular Weight1
- 277.54
- 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° | -95.43 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -258.88 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.77 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.421 | Crippen Calculated Property | |
| McVol | 165.180 | ml/mol | McGowan Calculated Property |
| Pc | 3142.03 | kPa | Joback Calculated Property |
| Inp | [1751.00; 1751.00] |
|
|
| Inp | 1751.00 | NIST | |
| Inp | 1751.00 | NIST | |
| Tboil | 639.74 | K | Joback Calculated Property |
| Tc | 870.25 | K | Joback Calculated Property |
| Tfus | 403.28 | K | Joback Calculated Property |
| Vc | 0.623 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [360.45; 417.18] | J/mol×K | [639.74; 870.25] |
|
| Cp,gas | 360.45 | J/mol×K | 639.74 | Joback Calculated Property |
| Cp,gas | 371.79 | J/mol×K | 678.16 | Joback Calculated Property |
| Cp,gas | 382.33 | J/mol×K | 716.58 | Joback Calculated Property |
| Cp,gas | 392.11 | J/mol×K | 754.99 | Joback Calculated Property |
| Cp,gas | 401.16 | J/mol×K | 793.41 | Joback Calculated Property |
| Cp,gas | 409.51 | J/mol×K | 831.83 | Joback Calculated Property |
| Cp,gas | 417.18 | J/mol×K | 870.25 | Joback Calculated Property |
| η | [0.0001980; 0.0013065] | Pa×s | [403.28; 639.74] |
|
| η | 0.0013065 | Pa×s | 403.28 | Joback Calculated Property |
| η | 0.0008294 | Pa×s | 442.69 | Joback Calculated Property |
| η | 0.0005671 | Pa×s | 482.10 | Joback Calculated Property |
| η | 0.0004107 | Pa×s | 521.51 | Joback Calculated Property |
| η | 0.0003112 | Pa×s | 560.92 | Joback Calculated Property |
| η | 0.0002446 | Pa×s | 600.33 | Joback Calculated Property |
| η | 0.0001980 | Pa×s | 639.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 4-chlorophenyl ester.
Sources
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