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In the „Extended Third Millennium Ideal Gas and Condensed Phase Thermochemical Database for Combustion with Updates from Active Thermochemical Tables” of Elke Goos, Alexander Burcat and Branko Ruscic

are evaluated spectroscopic and thermodynamic data as

• UV-, VIS, IR-, and Raman- spectra
• Vibrational frequencies
• Rotational constants
• Moments of Inertia
• Standard enthalpy of formation at 0 K, and at 298 K,
• Temperature dependent calculations of enthalpies, entropies, heat capacities at constant pressure and constant volume from 200K to 6000K

Organic and inorganic compounds in gaseous, liquid and solid state like

Elements: H, C, N, O, P, S
Gases: noble gases, hydrogen, nitrogen, air, carbon monoxide

Hydrocarbons:
- Aliphatic hydrocarbons:
- Saturated, unsaturated acyclic hydrocarbons:

Alkanes: methane, ethane, propane, butane, pentane, hexane, heptane, octane, nonane, decane
Alkenes: ethene, propene, butene, pentene, hexene, heptene
Alkines: ethine, propine, butine, pentine, hexine

- Cyclic hydrocarbons:cyclopropane, cyclobutane, cyclopentane, cyclohexane

- Aromatic hydrocarbons: benzene, toluene, xylenes, phenol

- Polyaromatic hydrocarbons: naphthaline, anthracene, phenanthrene, pyrene

Compounds with Oxygen:

Alcohols: methanol, ethanol, propanol, isopropanol, phenol
Aldehyds, alkanals: formaldehyde
Ester: methylbutanoate
Ether, alkoxyalkanes: tetrahydrofuran
Ketones: aceton
Carbon acids: formic acid, acetic acid, oxalic acid, oleic acid,

Compounds containing nitrogen and sulfur

Organic and inorganic acids: acetic acid, hydrochloric acid, sulphuric acid, phosphoric acid

Reactive compounds: methyl, ethyl, vinyl

Ions: NO₂^-, OH⁺, OH^-, NH₄⁺, H₃O⁺, CHO⁺

Thermochemical properties will be provided in so called 7- and 9-term polynomial NASA format for easy use in modelling and CFD programs.