Heats of combustion of benzene, toluene, ethylbenzene, o-xylene, m-xylene, p-xylene, n-propylbenzene, and styrene

Abstract

The heats of combustion of benzene, toluene, ethylbenzene, o-xylene, m-xylene, p-xylene, n -propylbenzene, and styrene were measured with a bomb calorimeter.The following values were obtained for the heat of combustion, at 25° C and constant pressure, of the liq uid hydrocarbon in gaseous oxygen to form gaseous carbon dioxide and liquid water, with all the r eactants and products in their thermodynamic standard reference states, in international kilojoules per mole: Benzene,3267.09 ±0043; tolU ene, 3909.31 ± 0 049; ethylbenzene, 4564.09 ± 0.72 ; o-xylene, 4552.10 ± 1.02 ; m-xylene, 4551.10 ± 0.62; p-xylene'w4552.09 ± 0.91 ; n-propylbenzene, 5217.37 ± 0.68 ; styrene 4394.14 ± 0.82.ith the factor 1/4.1833, the corresponding values in kilocalories per mole are b enzene, 780.98

Heats of combustion of liquid n-hexadecane, 1-hexadecene, n-decylbenzene, n-decylcyclohexane, n-decylcyclopentane, and the variation of heat of combustion with chain length

“…In table 4 are given the experimental values for the heats of combustion of compounds of several series in the liquid state. These data were obtained from the following sources: the heats of combustion of benzene, toluene, ethylbenz ene, n-propylbenzene, and n-butylbenzene in the liquid state [19,20]; the heats of combustion of cyclopentane, methylcyclopentane, ethylcyclopen tane, n-propylcylcopentane, cyclohexane, methylcyclohexane, ethylcyclohexane, n-propylcyclohexane, and n-bu tylcyclohexane in the liquid state [21]; the h eats of combustion of Jbutene [2] and I-pentene [22] in the gaseous state together with heats of vaporization of I-butene [23] and I-pentene [24]; the heats of combustio n of I-hexene and I-heptene in the liquid state [25]; and the heats of combustion of I-hexadecene, n-decylbenzene, n-decylcyclohexane, n-decylcyclopentane, and n-h exadecane in the liquid state from the present investigation.…”

Heats of formation and combustion of 1,3-butadiene and styrene

“…The new calorimetric data on the heat of combustion of styrene [16] yield CsRs (liq, styrene) + 1002 (gas)=8C02 (gas)+4R20 (liq). The old data on the heats of combustion of styrene yield values which differ from the foregoing value by the following amounts, in percent: Stohmann, et a1.…”

“…New data on the heat of combustion of styrene obtained in this laboratory [16) yield a more reliable value for its heat of formation from the elements, as well as for its heat of combustion. [10].…”

Thermochemical Properties of Hydroxycyclohexadienyl Peroxy Isomers from Reaction of O2 with the Benzene-OH adduct

“…The values from X//MP2(full)/6-31G(d,p) (X=G3(MP2), CBS-Q, CBS-4 and CBS-lq) are listed in [35]; (C=CCOH) = −29.55±0.35 [36]; (C=CCOOH) = −13.59±0.14 [37]; (C2COH) = −65.07±0.22 [38]; (C2COOH) = −48.99 ± 0.32 [39]; (CCOOH) = −39.70 ± 0.30 [23]; (CCOO•) = −6.72 ± 2.3 [40]; (1,4-cyclohexadiene) = 25.04 ± 0.14 [41]; (1,3-cyclohexadiene) = 25.00 ± 0.15 [41]; (cyclohexene) = −1.03±0.23 [42]; (benzene) = 19.82±0.12 [43]; (phenol) = −23.03±0.14 [44]; (toluene) = 11.95±0.15 Entropies and heat capacities from 50 K to 5000 K were calculated using the rigid-rotor-harmonic-oscillator approximation based on scaled vibrational frequencies (the two torsion frequencies corresponded to -OO and -OH rotors are excluded), molecular mass, and moments of inertia of the optimized B3LYP/6-31G(d, p) structures. The ROTATOR program is used to calculate internal rotor energy levels from the structure and the calculated one-dimensional uncoupled intramolecular rotation potential energy curves [18,19].…”