Determination of Heat Capacities and Thermodynamic Properties of 2-(Chloromethylthio)benzothiazole by an Adiabatic Calorimeter

Abstract

The molar heat capacities of 2-(chloromethylthio)benzothiazole (molecular formula C 8 H 6 ClNS 2 , CA registry no. 28908-00-1) were measured with an adiabatic calorimeter in the temperature range between (80 and 350) K. The construction and procedures of the calorimeter were described in detail. The performance of the calorimetric apparatus was evaluated by heat capacity measurements on R-Al 2 O 3 . The deviation of experiment heat capacities from the corresponding smoothed values lies within (0.3%, whereas the uncertainty is within (0.5%, compared with that of the recommended reference data over the whole experimental temperature range. A fusion transition was found from the C p -T curve of 2-(chloromethylthio)benzothiazole. The melting temperature and the molar enthalpy and entropy of fusion of the compound were determined to be T m ) (315.11 ( 0.04) K, ∆ fus H m ) (17.02 ( 0.03) kJ‚mol -1 , and ∆ fus S m ) (54.04 ( 0.05) J‚mol -1 ‚K -1 , respectively. The thermodynamic functions (H T -H 298.15 ) and (S T -S 298.15 ) were also derived from the heat capacity data. The molar fraction purity of the 2-(chloromethylthio)-benzothiazole sample used in the present calorimetric study was determined to be 99.21 by fraction melting.

Calculation of the Isobaric Heat Capacities of the Liquid and Solid Phase of Organic Compounds at and around 298.15 K Based on Their “True” Molecular Volume

“…In Table 19 and Table 20 a number of examples demonstrates the expandability of the present Cp-prediction method to a range of temperatures. For many compounds, nearly perfect linearity of the temperature dependence of the heat capacity in the range between 250 and 350 K has been graphically demonstrated (specifically for hexatriacontane [51], alkylsubstituted adamantanes [53], neopentylbenzene [54], 4,4′-disubstituted biphenyls [59], tetracene and pentacene [62], 2-propenol and cyclohexylalcohols [76], adamantanols [77], monoterpenoids [85], a,ω-alkanediols [88], 1,2-cyclohexanediol [99], ribose and mannose [100], ketohexoses [101], glucose [102], sugar alcohols [103], 3,5-di-t-butylsalicylic acid [111], 2-pyrazinecarboxylic acid [116], vitamin B3 [118], 2,4-dinitrobenzaldehyde [145], various monoterpenes [147,148], 2-pyridinealdoxime [164], chloroanilines and chloronitrobenzenes [166], linear alkyldiamides [170], 2-thiobarbituric acids [175], monuron [179], 1,3,5-trithiane [189], ferrocene derivatives [198,199], cyclic siloxanes [202], adenosine [206], tryptophan [210], carnitine [211], 2-(chloromethylthio)benzothiazole [231], 2-amino-5-nitropyridine [233], 2-aminopyridine [234], 4-dimethylaminopyridine [236], 8-hydroxyquinoline [237], caffeine [238], 4′-bromomethyl-2-cyanobiphenyl [249], myclobutanil [250], fenoxycarb [251], methylprednisolone [254], N -methylnorephedrine [255], N , N -dimethylnorephedrine hydrochloride [256], risperidone […”

Experimental Investigation of Isobaric specific heat capacity (Cp) of 9-ethylcarbazole in liquid and solid state

“…All the measured data is listed in Table S3 (supplementary data). The specific heat behavior with temperature was compared with published data [14], [21]. The increasing trend with temperature and deviation with pressure was prevously observed in literatature [22].…”

“…An automated adiabatic calorimeter is used for precise specific heat measurement [13]. Isobaric heat capacities of R245fa and R236fa have been measured by using Calvet calorimeter and pressure balance unit [14]. The specific heat and other combustion properties of several carbazole compounds have been determined [15]- [19].…”

Molar Heat Capacities, Thermodynamic Properties, and Thermal Stability of the Synthetic Complex [Er(Pro)2(H2O)5]Cl3

“…A precision automatic adiabatic calorimeter was applied to measure the heat capacity of the complex. The principle and structure of the instrument have been described in detail elsewhere. ,− Briefly, the automatic adiabatic calorimeter was mainly composed of a sample cell, a miniature platinum resistance thermometer, an electric heater, the inner and outer adiabatic shields, two sets of six-junction chromel−constantan thermopiles installed between the calorimetric cell and the inner shield and between the inner and the outer shields, respectively, and a high vacuum can . The working temperature range is from T = 78 K to T = 400 K and where necessary can be cooled by liquid nitrogen.…”