- InChI
- InChI=1S/C14H11Br2Cl3N2/c15-9-1-5-11(6-2-9)20-13(14(17,18)19)21-12-7-3-10(16)4-8-12/h1-8,13,20-21H
- InChI Key
- LPTYLIBUBROVDY-UHFFFAOYSA-N
- Formula
- C14H11Br2Cl3N2
- SMILES
-
ClC(Cl)(Cl)C(Nc1ccc(Br)cc1)Nc1
ccc(Br)cc1 - Molecular Weight1
- 473.42
- CAS
- 83320-61-0
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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° | 444.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 216.18 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 41.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.85 | kJ/mol | Joback Calculated Property |
| log10WS | -7.63 | Crippen Calculated Property | |
| logPoct/wat | 6.432 | Crippen Calculated Property | |
| McVol | 252.280 | ml/mol | McGowan Calculated Property |
| Pc | 2921.84 | kPa | Joback Calculated Property |
| Tboil | 924.32 | K | Joback Calculated Property |
| Tc | 1202.56 | K | Joback Calculated Property |
| Tfus | 627.52 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [602.37; 653.22] | J/mol×K | [924.32; 1202.56] | 
|
| Cp,gas | 602.37 | J/mol×K | 924.32 | Joback Calculated Property |
| Cp,gas | 611.66 | J/mol×K | 970.69 | Joback Calculated Property |
| Cp,gas | 620.35 | J/mol×K | 1017.07 | Joback Calculated Property |
| Cp,gas | 628.65 | J/mol×K | 1063.44 | Joback Calculated Property |
| Cp,gas | 636.75 | J/mol×K | 1109.81 | Joback Calculated Property |
| Cp,gas | 644.87 | J/mol×K | 1156.19 | Joback Calculated Property |
| Cp,gas | 653.22 | J/mol×K | 1202.56 | Joback Calculated Property |
Similar Compounds
![Uracil, 1-{p-[3-(2-chloroethyl)ureido]benzyl}-.](data:image/png;base64,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)
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Sources
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