ABSTRACT

The standard sublimation enthalpies of simetryn (N,Ncents-diethyl-6-(methylthio)-2,4-diamine-1,3,5-triazine), ametryn (N-ethyl-Ncents-(1-methylethyl)-6-(methylthio)-2,4-diamine-1,3,5-triazine), and terbutryn (N-(1,1-dimethylethyl)-Ncents- ethyl-6-(methylthio)-2,4-diamine-1,3,5-triazine) were determined by nonisothermal differential scanning calorimetry and nonisothermal and isothermal thermogravimetry, both techniques based on the Langmuir equation. For simetryn, ametryn, and terbutryn, the sublimation enthalpy values centssubHdeg (298 K) ) {(117 ( 5), (121 ( 5), and (112 ( 5)} kJamol-1, respectively, were selected from nonisothermal and isothermal thermogravimetry data. The temperature dependence of the vapor pressures was selected from isothermal thermogravimetry data for the examined compounds: ln(p/kPa) ) (23.86 ( 0.38) - (10410 ( 160)/(T/K) (from (391.4 to 456.0) K), ln (p/kPa) ) (23.30 ( 0.44) - (10458 ( 189)/(T/K) (from (400.1 to 470.6) K), and ln(p/kPa) ) (21.80 ( 0.41) - (9978 ( 178)/ (T/K) (from (402.8 to 464.3) K) for liquid simetryn, ametryn, and terbutryn, respectively. From the isothermal thermogravimetry data, the standard sublimation entropies for simetryn, ametryn, and terbutryn equal to centssubSdeg - (298 K) ) {(243), (244), and (214)} JaKamol-1, respectively, were derived with an estimated uncertainty of ( 10 JaK-1amol-1 for all the studied triazines.

Compounds

#	Formula	Name
1	C8H15N5S	2-methylthio-4,6-bis(ethylamino)-1,3,5-triazine
2	C9H17N5S	2-methylthio-4-ethylamino-6-isopropylamino-1,3,5-triazine
3	C10H19N5S	N-(1,1-dimethylethyl)-N'-ethyl-6-(methylthio)-1,3,5-triazine-2,4-diamine

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	Phase	Method	#Points
POMD	1	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	1	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	1	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	DSC	1
POMD	1	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Derived by Second law	1
POMD	1	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Derived by Second law	1
POMD	2	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	2	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	2	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	DSC	1
POMD	2	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Derived by Second law	1
POMD	2	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Derived by Second law	1
POMD	3	Molar enthalpy of transition or fusion, kJ/mol ; Crystal		Crystal Liquid Air at 1 atmosphere	DSC	1
POMD	3	Normal melting temperature, K ; Crystal		Crystal Liquid Air at 1 atmosphere	DTA	1
POMD	3	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Derived by Second law	1
POMD	3	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	Derived by Second law	1
POMD	3	Molar enthalpy of vaporization or sublimation, kJ/mol ; Liquid	Temperature, K; Liquid	Liquid Gas	DSC	1

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

Vapor Pressures and Standard Molar Sublimation Enthalpies of Three 6-Methylthio-2,4-di(alkylamino)-1,3,5-triazine Derivatives: Simetryn, Ametryn, and Terbutryn

Vecchio, S.[Stefano], Brunetti, B.[Bruno]

ABSTRACT