Henry’s Law Constant Program

SRC. 1994a. Syracuse Research Center. Henry s Law Constant Program (HENRYWIN, version 2,50 serial HO 142). Chemical Hazard Assessment Divison, Environmental Chemistry Center, Syracuse, NY. 

Method of Meylan and Howard Meylan and Howard [9] expanded the bond contribution method of Hine and Mookerjee. Based on 345 compounds they derived bond contributions for 59 different bond types. Their method has been validated with an independent set of 74 structurally diverse compounds, obtaining a correlation coefficient of 0.96. Their method also needs correction factors for several structural-substructural features. This method has been implemented into a Henry s law constant program performing AWPC (25°C) estimations from SMILES input [15]. 

Meylan, W. M., and P. H. Howard, Henry s Law Constant Program, 1992. Boca Raton, FL Lewis Publishers. 

Syracuse Research Corporation program to predict Henry s law constant Health and Environmental Sciences Institute Hartree-Fock Heat of Formation... 

Mackay et al. (2000) recommend the bond contribution method of Meylan and Howard (1991), one of two methods of predicting the Henry s law constant used by the SRC program HENRYWIN. These are developed from the work of Hine and Mookeijee (1975). HENRYWIN also predicts the Henry s law constant based on a group contribution method. 

Henry s Law Constants Subsection Solubilities in Sec. 2 of this handbook DIPPR 911 ENVIRON, EPCON International, Houston Environmental Simulation Program OLI Systems, Inc., Morris Plains, N. J. (www.olisystems.com) Mackay, D., et al, A Critical Review of Henry s Law Constants for Chemicals of Environmental Interest, /. Fhys. Chem. Ref. Data, 1981,10(4) 1175-1199 Tse,... 

Table 6.19 Mole fraction solubilities of C02inRTILs at 1.0 MPa and at 303 K and 333 K and at 2.0 MPa at 298 K, estimated by means of the COSMO -RS program in the second and third columns, experimental in the fourth, and the Henry s law constants at 298 K in the fifth and sixth columns...

NIST Chemistry WebBook http //webbook.nist.gov/chonistry/ (accessed November 10, 2010). The NIST Chemistry WebBook provides Internet access to chemical and physical property data for nearly 50,000 chonical species (compounds, ions, radicals, etc.). The data are derived from collections maintained by both the NIST Standard Reference Data Program and outside contributors. The available data include thermodynamic, gas phase, IR spectrum, condensed phase, mass spectrum, phase change, UV/Vis spectrum, reaction, vibrational and electronic energy levels, ion enogetics, constants of diatomic molecules, ion cluster, and Henry s Law. 

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