Kilocalorie

For fuels it is quite usual to employ kilocalories per kilogram as a measure of calorific value while for foods the unit used is kilocalories per gram. This, however, is often abbreviated to Calories , so that a value for carbohydrates of 4-1 Calories per gram is 4100 calories per gram. 

Calculate the energy release in kilocalories per mole (kcal/mol) of He for the cold fusion reaction... 

The following data ( fable 1) for niolcctilcs, including hydrocarbon s, strained ring system s. molecn les with heieroatom s, radicals, and ions conies from a review by Stewart. For most organic molecules,, YM 1 reports heals of formation accurate to within a few kilocalories per rn ol. bor soni e molecules (particularly inorgari ic compoun ds wdth several halogens, such as perch loryl fluoride, even the best sem i-em pineal method fails completely. 

The b vector in this equation set has been converted from kilocalories per mole (Benson and Cohen, 1998) to kilojoules per mol. Solve these simultaneous equations to obtain the energetic conPibutions for P, S, T, and Q. 

Our results are in very good agreement with Benson s simpler bond additivity values (2.5 kcal mol and —3.75 kcal mol Benson and Cohen, 1998), as indeed they must be because they were obtained from the same set of experimental enthalpies of formation. Note that many applications in themiochemishy use energy units of kilocalories per mole, where 1.000 kcal mol =4.184 kJ mol . ... 

The SI Systeme International d Unites) unit of energy is the joule (J) An older unit is the calorie (cal) Most or game chemists still express energy changes in units of kilocalories per mole (1 kcal/mol = 4 184 kJ/mol)... 

F = °C -h 32 to convert kilocalories per gram-mole to British thermal units per pound-mole, multiply by 1.799 X 10". ... 

Lennard-Jones parameters are / ,nh,/ in angsU oms and kilocalories per mole, respectively. 

Heat of vaporization in kilocalories per mole and molecule volume in cubic angstroms at — 89 C [56]. 

Table I.IS gives total bonding energies in kilocalories per mole for some simple molecules. The B3iyP results are comparable in accuracy to G1 and G2 results. Another comparison was done with a series of cyclic hydrocarbons as the test case. The calculations were done using an isodesmic reaction scheme. The results are given in Table 1.19. Density functional calculations have also been successfully extended to functionalized molecules. ...

STO-3G calculations find the corresponding transition state to be more stable than other possible conformations by several kilocalories per raole. The origin of the preference for this transition-state conformation is believed to be a stabilization of the C=0 LUMO by the a orbital of the perpendicularly oriented substituent. 

Heat is measured in term.s of the calorie, defined as the amount of heat necessary to raise the temperature of 1 gram of water at a pressure of 1 atmosphere firom 15 to 16 °C. This unit is sometimes called the small calorie, or gram calorie, to distinguish it from the large calorie, or kilocalorie, equal to 1000 small calories, which is used in nutritional studies. In mechanical engineering practice in the United States and the United Kingdom, heat is measured in British thermal units (Btu). One Btu is the quantity of heat required to raise the temperature of 1 pound of water 1 ° F and is equal to 252 calories. 

SpartanBuild reports strain energies in kilocalories per mole (1 kcal/rnol = 4.184 kJ/rnol) in the lower left-hand corner of the SpartanBuild window. 

From Eq. (6-1) it is evident that A has the units of k and that E has the units energy per mole. For many decades the usual units of E were kilocalories per mole, but in the International System of Units (SI) E should be expressed in kilojoules per mole (1 kJ = 4.184 kcal). In order to interpret the extant and future kinetic literature, it is essential to be able to use both of these forms. 

On the mole fraction scale in kilocalories per mole. Reference solvent is methanol... 

All free energies are in kilocalories per mole on the mole fraction scale, relative to DMF. See Table 8-5 for rate data. 

Electron Volt (eV) = 23.06037 Kilocalories/Mole 1 Hartree = 627.5095 Kilocalories/Mole = 27.2116 Electron Volts 1 Bohr-Electron = 2.541765 Debye 1 Debye /Angstrom -AMU = 42.2547 KM/Mole... 

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