Chloroform molecular dipole moment

Physical Properties Sulfur mustard (mustard gas) is a colorless oil with bp of 227°C, mp of 14°C, molecular dipole moment 1.78 D (hexane), and molecular mass of 159. It normally is encountered as an impure, pale yellow-brown, odoriferous liquid. The color generally deepens with increasing amounts of impurity. HD has a vapor density of 5.4 relative to air and a vapor pressure of 0.072 mm Hg at 20°C. As a liquid, it is slightly denser than water (1.27 g/mL at 20°C). It is miscible in typical organic solvents (e.g., carbon tetrachloride, acetone or chloroform) but has a lower solubility in water (0.092 g/100 g at 22°C) (Sidell et al., 1998 Somani, 1992). 

In chloromethane, the tetrahedral shape is clear, but there is only one polarized bond and the dipole for the molecule is easily predicted. In dichloromethane, however, there are two bond moments, and the dipole for the molecrde is the vector sum of these two bond moments (magnitude and direction). The dipole is shown. For trichloromethane (chloroform), the magnitude and direction of the three polarized C-Cl bonds lead to the molecular dipole moment shown. Carbon tetrachloride is interesting. There are four C-Cl bonds with equal bond polarization and dipole moments. Summing all four dipole moments for the bonds, which are directed to the corners of a regular tetrahedron, leads to a dipole moment of zero because the magnitudes of the individual bond moments cancel. 

Methylene chloride (CH2CI2) has fewer chlorine atoms than chloroform (CHCI3). Nevertheless, methylene chloride has a larger molecular dipole moment than chloroform. Explain. 

The third chlorine atom in chloroform partially cancels the effects of the other two chlorine atoms, thereby reducing the molecular dipole moment relative to methylene chloride. 

Water freezes to ice at 0°C expands by about 10% on freezing boils at 100°C vapor pressure at 0°, 20°, 50°, and 100°C are 4.6, 17.5, 92.5, and 760 torr, respectively dielectric constant 80.2 at 20°C and 76.6 at 30°C dipole moment in benzene at 25°C 1.76 critical temperature 373.99°C critical pressure 217.8 atm critical density 0.322 g/cm viscosity 0.01002 poise at 20°C surface tension 73 dynes/cm at 20°C dissolves ionic substances miscible with mineral acids, alkalies low molecular weight alcohols, aldehydes and ketones forms an azeotrope with several solvents immiscible with nonpolar solvents such as carbon tetrachloride, hexane, chloroform, benzene, toluene, and carbon disulfide. 

Molecules of 1,3,5-trinitrobcnzene or p- dinitrobenzene have no electric dipole moments but they have moments in solutions where molecular compounds are formed. For example they have no moments in carbon tetrachloride or chloroform, but they do have moments in benzene, naphthalene, or dioxane. 

The hard core in Eq. (7.59) has been imposed for numerical convenience. As a consequence, it is mainly the van der Waals-like attractive (rather than the repulsive) part of the LJ (12,6) potential (oc r ) that contributes to the fluid fluid potential. The strength of the dipolar relative to the attractive LJ interactions is conveniently measured by the reduced (i.e., dimensionless) dipole moment m = fi/V a. Depending on this parameter, the Stockmayer fluid may serve as a simple model for polar molecular fluids [258, 259] (small m.) or for ferrofluids [227, 228] (large in). Here wc consider a system with dipole moment m = 2, whicli is a value typical for moderately polar molecular fluids [259] such as chloroform. For this value of m, GCEMC simulations have been presented in Section 6.4.1. 

Proton NMR studies of N-methyl formamide (NMF) and NMA at high dilution in deuterated solvents have shown that the level of cis isomer of NMF is 8% in water, 10.3% in chloroform, 8.8% in benzene, and 9.2% in cyclohexane, while the level of cis-NMA (a model for the secondary peptide bond) is 1.5% in water and does not change very much in nonpolar solvents [18]. Ab initio molecular calculations suggest that the small difference in dipole moments in cis and trans forms explain the relative insensitivity of amides to solvent change, unlike esters [22,41], This may be explained by nearly identical free energies of solvation for the two isomers [18]. The energy difference between cis and trans isomers in aqueous solution (AG° = 2.5 kcal mol-1) accounts for the preferential trans conformation adopted by most peptide bonds. Similar results were obtained with nonproline tertiary amides [22]. 

Molecular models for chloromethane, dichloromethane, and trichloromethane are given to show the direction of the dipole of molecule more clearly. Calculated dipoles for these three molecules are 2.87, 2.50, and 1.72 Debye, respectively, and it is clear that the directional nature of the individual bond dipoles plays a role in the overall magnitude of the dipole moment for the molecrde. With three chlorine atoms directed to different regions of space, chloroform is the least polar of the three molecules, despite the presence of three polarized bonds. 

PBLG has a large molecular weight-dependent dipole moment due to contributions of the amide and ester residues, whose resolved components along the helical axis are additive. As an example, the residue dipole moment in chloroform has been reported as 1.05-1.26 x coulomb-meters [25J. 

---