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More of EPA’s SPARC Online Calculator−The Need for High-Quality Predictions of Chemical Properties

https://doi.org/10.1021/es100437g
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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Estimating the vapor pressures of multi-functional oxygen-containing organic compounds using group contribution methods
inferredcites →https://doi.org/10.1021/ci900286sopenalex-snapshot
In Silico Prediction of Aqueous Solubility: The Solubility Challenge
inferredcites →https://doi.org/10.1021/ci900289xopenalex-snapshot
Comparison of Nine Programs Predicting p K a Values of Pharmaceutical Substances
inferredcites →https://doi.org/10.1021/es8025165openalex-snapshot
Ambient Gas/Particle Partitioning. 3. Estimating Partition Coefficients of Apolar, Polar, and Ionizable Organic Compounds by Their Molecular Structure

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Method development for aquatic ecotoxicological characterization factor calculation for hydrocarbon mixtures in life cycle assessment
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Characterization of low-temperature vapour pressure estimates for secondary organic aerosol applications
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Application of the Junge- and Pankow-equation for estimating indoor gas/particle distribution and exposure to SVOCs
inferred← citeshttps://doi.org/10.1016/j.envsoft.2021.104971openalex-snapshot
Modelling one-dimensional reactive transport of toxic contaminants in natural rivers
inferred← citeshttps://doi.org/10.1016/j.jes.2015.03.033openalex-snapshot
Toward rational design of amines for CO2 capture: Substituent effect on kinetic process for the reaction of monoethanolamine with CO2
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2011.05.078openalex-snapshot
On the replacement of empirical parameters in multimedia mass balance models with QSPR data
inferred← citeshttps://doi.org/10.1016/j.jhazmat.2021.127326openalex-snapshot
Partitioning of airborne PAEs on indoor impermeable surfaces: A microscopic view of the sorption process
inferred← citeshttps://doi.org/10.1016/j.scitotenv.2015.02.106openalex-snapshot
Physical–chemical properties and evaluative fate modelling of ‘emerging’ and ‘novel’ brominated and organophosphorus flame retardants in the indoor and outdoor environment
inferred← citeshttps://doi.org/10.1021/acs.est.1c06935openalex-snapshot
Quantum Chemical Calculation and Evaluation of Partition Coefficients for Classical and Emerging Environmentally Relevant Organic Compounds
inferred← citeshttps://doi.org/10.1021/acs.est.5b06033openalex-snapshot
Predicting the Sorption of Aromatic Acids to Noncarbonized and Carbonized Sorbents
inferred← citeshttps://doi.org/10.1021/acsestengg.3c00267openalex-snapshot
Building Chemical Intuition about Physicochemical Properties of C8-Per-/Polyfluoroalkyl Carboxylic Acids through Computational Means
inferred← citeshttps://doi.org/10.1021/es102727qopenalex-snapshot
Comment on “More of EPA’s SPARC Online Calculator—The Need for High-Quality Predictions of Chemical Properties”
inferred← citeshttps://doi.org/10.1021/es102925sopenalex-snapshot
Response to Comment on “More of EPA’s SPARC Online Calculator—The Need for High Quality Predictions of Chemical Properties”
inferred← citeshttps://doi.org/10.1021/es301165popenalex-snapshot
Gibbs Free Energy of Formation of Chlordecone and Potential Degradation Products: Implications for Remediation Strategies and Environmental Fate
inferred← citeshttps://doi.org/10.1021/es504238yopenalex-snapshot
Sorption Mechanism and Predictive Models for Removal of Cationic Organic Contaminants by Cation Exchange Resins
inferred← citeshttps://doi.org/10.1021/tx4001557openalex-snapshot
Anionic Phenolic Compounds Bind Stronger with Transthyretin than Their Neutral Forms: Nonnegligible Mechanisms in Virtual Screening of Endocrine Disrupting Chemicals
inferred← citeshttps://doi.org/10.1039/c7ay01121kopenalex-snapshot
Secondary electrospray ionization proceeds via gas-phase chemical ionization
inferred← citeshttps://doi.org/10.1080/10934529.2010.506114openalex-snapshot
Dowand Kaw,effvs. Kowand K°aw: Acid/base ionization effects on partitioning properties and screening commercial chemicals for long-range transport and bioaccumulation potential
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Temperature and indoor environments
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