Reading Solvent Properties from solvents_ds Dataset

Gathering the solvent properties from solvents_ds in order to filter out specific solvent and its corresponding properties (by the prop argument). See also vignette("datasets").

Usage

readEPR_solvent_props(solvent, prop = NULL)

Arguments

solvent

Character string, pointing to solvent name (or any string from the solvent name/abbreviation), such as solvent = "DMSO",solvent = "acetone", solvent = "xylene". If more than one rows/observations are being returned (e.g. in case of solvent = "xylene") => additional solvent specification must be provided e.g. solvent = "o-xylene".

prop

Character string related to a data frame variable/column/property e.g. "boiling", "formula", "dens", "dielectric"...etc (see also solvents_ds).

Value

Data frame with row/rows of selected solvent(s) and the corresponding properties. If a specific property is called like code = "melting" (\(\equiv\) melting point in °C), the function returns value/character.

See also

Other Data Reading: readEPR_Exp_Specs(), readEPR_Exp_Specs_kin(), readEPR_Exp_Specs_multif(), readEPR_Sim_Spec(), readEPR_param_slct(), readEPR_params_slct_kin(), readEPR_params_slct_quant(), readEPR_params_slct_sim(), readEPR_params_tabs(), readMAT_params_file()

Examples

## Properties of `DMSO`:
solvent_01 <- readEPR_solvent_props("DMSO")
head(solvent_01)
#> # A tibble: 1 × 10
#>   Solvent            Formula    MW Boiling_Point_oC Melting_Point_oC Density_gmL
#>   <chr>              <chr>   <dbl>            <dbl>            <dbl>       <dbl>
#> 1 dimethyl sulfoxid… C2H6OS  78.13              189             18.4       1.092
#> # ℹ 4 more variables: Solubility_g100gW <chr>, Dielectric_Const <chr>,
#> #   Flash_Point_oC <dbl>, Viscosity_cp <chr>
#
## All `xylene` solvent specifications:
solvent_02 <- readEPR_solvent_props(solvent = "xylene")
head(solvent_02)
#> # A tibble: 3 × 10
#>   Solvent  Formula     MW Boiling_Point_oC Melting_Point_oC Density_gmL
#>   <chr>    <chr>    <dbl>            <dbl>            <dbl>       <dbl>
#> 1 o-xylene C8H10   106.17            144              -25.2       0.897
#> 2 m-xylene C8H10   106.17            139.1            -47.8       0.868
#> 3 p-xylene C8H10   106.17            138.4             13.3       0.861
#> # ℹ 4 more variables: Solubility_g100gW <chr>, Dielectric_Const <chr>,
#> #   Flash_Point_oC <dbl>, Viscosity_cp <chr>
#
## Boiling point of `o-xylene`:
readEPR_solvent_props(solvent = "o-xylene",
                      prop = "boiling")
#> [1] 144