CHEMICAL_PROPS

Overview

Excel Usage

=CHEMICAL_PROPS(chemical, thermo_prop)

• chemical (str, required): Chemical identifier (e.g., ‘Water’, ‘67-56-1’).
• thermo_prop (str, required): Property attribute name (e.g., ‘MW’, ‘Tb’, ‘Tc’, ‘Pc’, ‘formula’).

Returns (float): Property value (float) or string (e.g. formula).

Examples

Example 1: Water Molecular Weight

Inputs:

chemical	thermo_prop
Water	MW

Excel formula:

=CHEMICAL_PROPS("Water", "MW")

Expected output:

18.01528

Example 2: Ethanol Critical Temperature

Inputs:

chemical	thermo_prop
Ethanol	Tc

Excel formula:

=CHEMICAL_PROPS("Ethanol", "Tc")

Expected output:

514.71

Example 3: Methane Formula

Inputs:

chemical	thermo_prop
Methane	formula

Excel formula:

=CHEMICAL_PROPS("Methane", "formula")

Expected output:

"CH4"

Example 4: Benzene Critical Pressure

Inputs:

chemical	thermo_prop
Benzene	Pc

Excel formula:

=CHEMICAL_PROPS("Benzene", "Pc")

Expected output:

4907277

Python Code

from thermo import Chemical

def chemical_props(chemical, thermo_prop):
    """
    Retrieve physical and thermodynamic properties for a chemical specimen.

    See: https://thermo.readthedocs.io/thermo.chemical.html

    This example function is provided as-is without any representation of accuracy.

    Args:
        chemical (str): Chemical identifier (e.g., 'Water', '67-56-1').
        thermo_prop (str): Property attribute name (e.g., 'MW', 'Tb', 'Tc', 'Pc', 'formula'). Valid options: Molecular Weight (MW), Normal Boiling Point (Tb), Melting Point (Tm), Critical Temperature (Tc), Critical Pressure (Pc), Critical Volume (Vc), Acentric Factor (omega), Formula, SMILES, PubChem ID.

    Returns:
        float: Property value (float) or string (e.g. formula).
    """
    try:
        c = Chemical(chemical)
        if hasattr(c, thermo_prop):
            return getattr(c, thermo_prop)
        else:
            return f"Error: Property '{thermo_prop}' not found for '{chemical}'"
    except Exception as e:
        return f"Error: {str(e)}"

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