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| Preface | |
| Introduction | p. 1 |
| Structure of Pure Organic Compounds | p. 9 |
| Building elements: atoms, molecules | p. 9 |
| Increment principles: groups, radicals | p. 10 |
| Homologous series | p. 10 |
| Structural isomers enumeration | p. 12 |
| Chemical structure information (topological indices) | p. 45 |
| Shape and structure of molecules | p. 105 |
| Properties of Pure Organic Compounds | p. 131 |
| States of the matter: solid, liquid and gas | p. 131 |
| Variables which influence the properties of compounds | p. 140 |
| Single value properties | p. 143 |
| molecular weight | p. 143 |
| melting point or freezing point | p. 144 |
| triple point | p. 157 |
| boiling point | p. 159 |
| critical properties | p. 188 |
| Properties become zero at critical point | p. 230 |
| latent heat of vaporization | p. 230 |
| surface tension | p. 258 |
| Multiple value properties | p. 271 |
| vapor pressure | p. 271 |
| a. estimation from chemical structure only | p. 273 |
| b. estimation from boiling point only | p. 283 |
| c. estimation from other properties | p. 288 |
| density (volume) | p. 309 |
| solids | p. 309 |
| liquids | p. 314 |
| gases (vapors) | p. 330 |
| viscosity (reciprocal of fluidity) | p. 338 |
| gases | p. 339 |
| liquids | p. 345 |
| heat capacity | p. 362 |
| solids | p. 366 |
| liquids | p. 369 |
| gases | p. 384 |
| thermal conductivity | p. 392 |
| solids | p. 393 |
| liquids | p. 397 |
| gases | p. 408 |
| Thermal properties and miscellaneous characteristics | p. 413 |
| heat of fusion | p. 415 |
| heat of sublimation | p. 416 |
| heat of crystallisation | p. 418 |
| entropy of fusion | p. 419 |
| acentric factor | p. 420 |
| solubility parameter | p. 421 |
| parachor for liquids | p. 435 |
| refrachor for liquids | p. 437 |
| rheochor | p. 437 |
| orthochor | p. 439 |
| thermochor | p. 439 |
| refractive index | p. 441 |
| molar refraction for liquids | p. 443 |
| magnetic susceptibility | p. 444 |
| radius of gyration | p. 446 |
| compressibility of liquids and bulk modulus | p. 448 |
| thermal expansion of liquids | p. 451 |
| expansion factor | p. 453 |
| velocity of sound in liquids | p. 453 |
| dipole moment | p. 459 |
| dielectric constant or permittivity | p. 469 |
| electrostatic factor | p. 478 |
| force constants | p. 480 |
| polarizability | p. 482 |
| solvatochromic parameter | p. 487 |
| ionization potential | p. 492 |
| electrical conductivity | p. 499 |
| geometrical parameter | p. 507 |
| polarity constant | p. 508 |
| polarity or connectivity index | p. 508 |
| polar hydrogen factor | p. 512 |
| dispersion parameter | p. 513 |
| induction parameter | p. 514 |
| polar parameter | p. 514 |
| acidity and basicity parameters | p. 515 |
| asymmetric factors | p. 516 |
| electronegativity scale | p. 517 |
| bond ionicity | p. 520 |
| flash point | p. 521 |
| autoignition temperature | p. 523 |
| flammable limits | p. 524 |
| Hierarchy in the availability of information on the properties of organic compounds in the literature | p. 528 |
| Relations between Structure and Properties | p. 575 |
| Corresponding state theory | p. 575 |
| Similarity-symmetry-analogy principle (molecular similarity) | p. 585 |
| Group contribution methods (atom, bond and group additivity) | p. 618 |
| Connectivity index methods | p. 639 |
| Molecular surface area calculations | p. 669 |
| Molecular orbital theory | p. 710 |
| Quantum mechanics | p. 710 |
| Molecular mechanics | p. 731 |
| Pattern recognition | p. 747 |
| Factor analysis | p. 764 |
| Structure elucidation | p. 781 |
| Chemometrics | p. 791 |
| Drug design | p. 801 |
| Models for Structure Generation | p. 861 |
| Objectives, selectivity and limitations | p. 861 |
| Basic elements of models-statistics | p. 883 |
| Connection tables | p. 905 |
| Topology | p. 916 |
| Chemical graphs | p. 937 |
| How the Models Work | p. 953 |
| Principles, semiempirical models, CAMM | p. 953 |
| Research areas of interest | p. 959 |
| Computer-aided molecular design | p. 994 |
| Appendix | p. 1031 |
| Books and major compilations for the estimation of properties of matter | p. 1032 |
| Handbook and data compilations of physical properties of substances | p. 1065 |
| Multivolume handbooks on physical property data | p. 1120 |
| Sources, bibliographies and retrieval guides on physical properties | p. 1139 |
| Journals reporting physical property data and estimation and correlation methods | p. 1143 |
| Computer software catalogues libraries and guides | p. 1145 |
| Master (M.Sc) and Doctoral (Ph.D) theses related to molecular design | p. 1148 |
| References | p. 1153 |
| Subject Index | p. 1479 |
| Table of Contents provided by Blackwell. All Rights Reserved. |
