DIPOLE

This function returns a chemical’s dipole moment from available molecular-property data sources using its CAS number.

Dipole moment is a measure of charge separation in a molecule and is used in polarity, intermolecular interaction, and transport-property correlations.

Excel Usage

=DIPOLE(CASRN, method)

• CASRN (str, required): CAS Registry Number for the target chemical (-).
• method (str, optional, default: null): Optional data source method name; leave empty for automatic selection (-).

Returns (float): Dipole moment in debye (D).

Example 1: Dipole moment of water

Inputs:

CASRN
7732-18-5

Excel formula:

=DIPOLE("7732-18-5")

Expected output:

1.85

Example 2: Dipole moment of ethanol

Inputs:

CASRN
64-17-5

Excel formula:

=DIPOLE("64-17-5")

Expected output:

1.44

Example 3: Dipole moment of methane

Inputs:

CASRN
74-82-8

Excel formula:

=DIPOLE("74-82-8")

Expected output:

0

Example 4: Dipole moment of benzene

Inputs:

CASRN
71-43-2

Excel formula:

=DIPOLE("71-43-2")

Expected output:

0

Python Code

Show Code

from chemicals.dipole import dipole_moment as chemicals_dipole_moment

def dipole(CASRN, method=None):
    """
    Retrieve the dipole moment of a chemical by CAS number.

    See: https://chemicals.readthedocs.io/chemicals.dipole.html

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

    Args:
        CASRN (str): CAS Registry Number for the target chemical (-).
        method (str, optional): Optional data source method name; leave empty for automatic selection (-). Default is None.

    Returns:
        float: Dipole moment in debye (D).
    """
    try:
        value = chemicals_dipole_moment(CASRN=CASRN, method=method)
        if value is None:
            return "Error: Dipole moment data is not available for the provided CASRN"
        return value
    except Exception as e:
        return f"Error: {str(e)}"

Online Calculator

CASRN *

CAS Registry Number for the target chemical (-).

method

Optional data source method name; leave empty for automatic selection (-).