- InChI
- InChI=1S/C10H9BrCl2O2/c11-5-1-2-10(14)15-7-3-4-8(12)9(13)6-7/h3-4,6H,1-2,5H2
- InChI Key
- JFERDTAWUDNKAE-UHFFFAOYSA-N
- Formula
- C10H9BrCl2O2
- SMILES
- O=C(CCCBr)Oc1ccc(Cl)c(Cl)c1
- Molecular Weight1
- 311.99
- 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 | 0.7033 | Relay (1.0) Calculated Property | |
| ΔfG° | -116.99 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -367.65 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 31.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.81 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.80 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.66 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.074 | Crippen Calculated Property | |
| McVol | 177.420 | ml/mol | McGowan Calculated Property |
| Pc | 2966.57 | kPa | Joback Calculated Property |
| Inp | 1942.00 | NIST | |
| Tboil | 588.80 | K | Relay (1.0) Calculated Property |
| Tc | 827.24 | K | Relay (1.0) Calculated Property |
| Tfus | 318.58 | K | Relay (1.0) Calculated Property |
| Vc | 0.616 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [380.81; 431.39] | J/mol×K | [682.15; 916.45] | 
|
| Cp,gas | 380.81 | J/mol×K | 682.15 | Joback Calculated Property |
| Cp,gas | 391.02 | J/mol×K | 721.20 | Joback Calculated Property |
| Cp,gas | 400.49 | J/mol×K | 760.25 | Joback Calculated Property |
| Cp,gas | 409.23 | J/mol×K | 799.30 | Joback Calculated Property |
| Cp,gas | 417.28 | J/mol×K | 838.35 | Joback Calculated Property |
| Cp,gas | 424.66 | J/mol×K | 877.40 | Joback Calculated Property |
| Cp,gas | 431.39 | J/mol×K | 916.45 | Joback Calculated Property |
| η | [0.0001779; 0.0009682] | Pa×s | [445.72; 682.15] |
|
| η | 0.0009682 | Pa×s | 445.72 | Joback Calculated Property |
| η | 0.0006509 | Pa×s | 485.12 | Joback Calculated Property |
| η | 0.0004645 | Pa×s | 524.53 | Joback Calculated Property |
| η | 0.0003475 | Pa×s | 563.93 | Joback Calculated Property |
| η | 0.0002700 | Pa×s | 603.34 | Joback Calculated Property |
| η | 0.0002164 | Pa×s | 642.75 | Joback Calculated Property |
| η | 0.0001779 | Pa×s | 682.15 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Bromobutyric acid, 3,4-dichlorophenyl ester.
Sources
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