Command-Line Interface

sandlerprops provides a command-line interface (CLI) for quick queries of the properties database without writing Python code. It also provides a rudimentary search function to find compounds by name.

Overview

The CLI has three main subcommands:

• show: Show pure-component properties from the database for a specific compound

• showprops: List all available properties in the database with units and descriptions

• find: Search for compounds by name

Global Options

sandlerprops --help

Shows general help and lists available subcommands. (Note that -h is reserved for enthalpy inputs.)

sandlerprops --version

Displays the installed version of sandlerprops.

show Command

Show pure-component properties from the database for a specific compound.

Syntax

sandlerprops show [compound-name]

Examples

Basic look-up: Methane:

sandlerprops show methane

Output:

Properties of methane (index 116):
----------------------------------------
   No             : 116
   Formula        : CH4
   Name           : methane
   Molwt          : 16.043 g / mol
   Tfp            : 90.700 K
   Tb             : 111.600 K
   Tc             : 190.400 K
   Pc             : 46.000 bar
   Vc             : 99.200 m ** 3 / mol
   Zc             : 0.288
   Omega          : 0.011
   Dipm           : 0.000 D
   CpA            : 19.25
   CpB            : 0.05213
   CpC            : 1.197e-05
   CpD            : -1.132e-08
   dHf            : -74900.000 J / mol
   dGf            : -50870.000 J / mol
   Eq             : 1
   VpA            : -6.004
   VpB            : 1.119
   VpC            : -0.8341
   VpD            : -1.228
   Tmin           : 91.000 K
   Tmax           : 190.400 K
   Lden           : 0.425
   Tden           : 112.000 K

Search by name: Find all compounds that match “eth”:

sandlerprops find eth

Output:

eth not found.  Here are similars:
ethane
ethanol
methane
menthol
ethylene
methylal
methanol
thymol
ketene
ethyl amine

Units Reference

The CLI uses units as-provided in the database. Below is a reference table of common properties and their units. Note that all quantities with units are represented as pint.Quantity objects.

Property	Unit
Temperature (T)	Kelvin (K)
Mass (m)	Gram (g)
Volume (V)	m³
Pressure (P)	Bar
Molar volume (v)	m³/mol
Enthalpy (H)	J/mol
Entropy (S)	J/(mol-K)
Heat capacity (Cp)	J/(mol-K)

showprops Command

List all available properties in the database with units and descriptions.

Syntax

sandlerprops showprops

Output:

Property      Units   Description
--------------------------------------------------
      No              Unique compound number
 Formula              Empirical formula
    Name              Unique compound name
   Molwt      g/mol   Molecular weight in g/mol
     Tfp          K   Triple point temperature in K
      Tb          K   Boiling point temperature in K
      Tc          K   Critical temperature in K
      Pc        bar   Critical pressure in bar
      Vc   m**3/mol   Critical volume in m3/mol
      Zc              Critical compressibility
   Omega              Acentric factor
    Dipm      Debye   Dipole moment in Debye
     CpA    J/mol*K   Ideal gas heat capacity coeff 1 in J/mol*K
     CpB J/mol*K**2   Ideal gas heat capacity coeff 2 in J/mol*K**2
     CpC J/mol*K**3   Ideal gas heat capacity coeff 3 in J/mol*K**3
     CpD J/mol*K**4   Ideal gas heat capacity coeff 4 in J/mol*K**4
     dHf      J/mol   Ideal gas enthalpy of formation at 298.15 K
     dGf      J/mol   Ideal gas entropy of formation at 298.15 K
      Eq              Vapor pressure equation type number
     VpA              Vapor pressure coeff 1
     VpB              Vapor pressure coeff 2
     VpC              Vapor pressure coeff 3
     VpD              Vapor pressure coeff 4
    Tmin          K   Vapor pressure temperature range min
    Tmax          K   Vapor pressure temperature range max
    Lden              Liquid density at Tden
    Tden              Temperature at which liquid density is measured