ABSTRACT

In the present paper, we report the thermodynamics of the four amphiphilic drugs (two antidepressants, amitriptyline hydrochloride and imipramine hydrochloride, and two phenothiazines, chlorpromazine hydrochloride and promethazine hydrochloride) in the presence of additives [NaCl, cetyltrimethylammonium bromide (CTAB), polyethylene glycol t-octylphenyl ether (TX-100)] and evaluated Gibbs energies [at the air/water interface (Gmin(s)), the standard Gibbs energy change of micellization (?micG0), the standard Gibbs energy change of adsorption (?adsG0), and the excess free energy change of micellization (?Gex)].

Compounds

#	Formula	Name
1	C20H24ClN	3-(10,11-dihydro-5H-dibenzo[a,d]cyclohepten-5-ylidine)-N,N-dimethyl-1-propanamine hydrochloride
2	C19H25ClN2	3-(10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,N-dimethylpropan-1-amine hydrochloride (1:1)
3	C17H20Cl2N2S	2-chloro-10-(3-dimethylaminopropyl)phenothiazine hydrochloride
4	C17H21ClN2S	promethazine hydrochloride
5	ClNa	sodium chloride
6	C19H42BrN	N,N,N-trimethyl-1-hexadecanaminium bromide
7	H2O	water

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	1 7	Surface tension liquid-gas, N/m ; Liquid	Amount concentration (molarity), mol/dm3 - 1; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	9
POMD	2 7	Surface tension liquid-gas, N/m ; Liquid	Amount concentration (molarity), mol/dm3 - 2; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	10
POMD	3 7	Surface tension liquid-gas, N/m ; Liquid	Amount concentration (molarity), mol/dm3 - 3; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	11
POMD	4 7	Surface tension liquid-gas, N/m ; Liquid	Amount concentration (molarity), mol/dm3 - 4; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	10
POMD	2 5 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 5; Liquid Amount concentration (molarity), mol/dm3 - 2; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	47
POMD	1 5 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 5; Liquid Amount concentration (molarity), mol/dm3 - 1; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	45
POMD	3 5 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 5; Liquid Amount concentration (molarity), mol/dm3 - 3; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	47
POMD	4 5 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 5; Liquid Amount concentration (molarity), mol/dm3 - 4; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	46
POMD	6 1 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 6; Liquid Amount concentration (molarity), mol/dm3 - 1; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	40
POMD	6 2 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 6; Liquid Amount concentration (molarity), mol/dm3 - 2; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	49
POMD	6 3 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 6; Liquid Amount concentration (molarity), mol/dm3 - 3; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	49
POMD	6 4 7	Surface tension liquid-gas, N/m ; Liquid	Solvent: Amount concentration (molarity), mol/dm3 - 6; Liquid Amount concentration (molarity), mol/dm3 - 4; Liquid	Temperature, K; Liquid	Liquid Air at 1 atmosphere	Ring tensiometer	53

Thermodynamics Research Center / ThermoML | Journal of Chemical and Engineering Data

Thermodynamics of Some Amphiphilic Drugs in Presence of Additives

Alam, M. S.[Md. Sayem], Kabir-ud-Din, Mandal, A. B.[Asit Baran]

ABSTRACT