ThermoML version 4.0 DataReport complex type TRC Reference Identifier Integer year of publication First 3 characters of Author 1 last name First 3 characters of Author 2 last name Integer identifier to distinguish conflicts The type of publication The source status type for a citation Company, institution, or conference name Author of publication Name of the publication. Publication year Date of the citation Title of the publication An abstract of the publication Language of publication DOI URL to the publication The Chemical Abstracts Service citation Identification number, e.g., a patent number or a document number Reference to a location Volume number Page range where the publication can be found Chapter number Edition number of the book Editor of the book The International Standard Book Number Publisher name and city The International Standard Subscription Number Issue number, usually indicates month The CODEN identification of the journal Academic degree designation, e.g., MS or PhD Academic degree granting institution University Microfilms International Publication Number Material component characteristics that serves to identify the component Index to link compounds to data Standard InChI string IUPAC International Chemical Identifier Standard InChI key IUPAC name, string International Union of Physics and Applied Chemistry name Common name, string Common name Molecular formula, string Chemical molecular formula SMILES notation, string SMILES notation Polymer-specific information Number average molecular mass, kg/kmol Peak average molecular mass, kg/kmol Viscosity average molecular mass, kg/kmol Weight average molecular mass, kg/kmol Z average molecular mass, kg/kmol Ion-specific information Bio species information sample Purity of the sample purity value in mole percent purity value in mass percent purity value in volume percent purity value in not specified percent mass per cent of water mole per cent of water mass per cent of halide impurity mass per cent of halide impurity Analytical method used to determine purity Purpose of measurement CASRN is necessary for mixtures only Boiling temperature at P=101.325 kPa Mass of solute per volume of solution Ratio of partial pressure to molarity e.m.f. measurement Molar density Per mol of mixture Per mol of solute Per mol of solute Per mol of solute CASRN is necessary for mixtures only CASRN is necessary for mixtures only Molarity CASRN is necessary for mixtures only CASRN is necessary for mixtures only CASRN is necessary for mixtures only CASRN is necessary for mixtures only CASRN is necessary for mixtures only Molarity Purpose of measurement e.m.f. measurement e.m.f. measurement Molarity The sample status Source(s) of the sample Purification method(s) used to purify sample Analytical method used to measure purity. Purpose of measurement Phase description Crystal Lattice Type Means of property presentation Type of reference state Molar density