dipole¶
All methods and data associated to the dipole moment of a chemical.
-
thermosteam.properties.dipole.
dipole_moment
(CASRN, method='Any')[source]¶ Retrieve a chemical’s dipole moment. Lookup is based on CASRNs. Automatically select a data source to use if no method is provided. Return None if the data is not available.
Prefered source is ‘CCCBDB’. Considerable variation in reported data has found.
- Parameters
CASRN (string) – CASRN [-]
- Returns
dipole – Dipole moment [debye].
- Return type
float
- Other Parameters
method (string, optional) – The method name to use. Accepted methods are ‘CCCBDB’, ‘Muller’, or ‘Poling’. If method is “Any”, the first available value from these methods will returned. If method is “All”, a dictionary of method results will be returned.
Notes
A total of three sources are available for this function. They are:
This function returns dipole moment in units of Debye. This is actually a non-SI unit; to convert to SI, multiply by 3.33564095198e-30 and its units will be in ampere*second^2 or equivalently and more commonly given, coulomb*second. The constant is the result of 1E-21/c, where c is the speed of light.
Examples
>>> dipole_moment(CASRN='64-17-5') 1.44
References
- 1
NIST Computational Chemistry Comparison and Benchmark Database NIST Standard Reference Database Number 101 Release 17b, September 2015, Editor: Russell D. Johnson III http://cccbdb.nist.gov/
- 2
Muller, Karsten, Liudmila Mokrushina, and Wolfgang Arlt. “Second- Order Group Contribution Method for the Determination of the Dipole Moment.” Journal of Chemical & Engineering Data 57, no. 4 (April 12, 2012): 1231-36. doi:10.1021/je2013395.
- 3
Poling, Bruce E. The Properties of Gases and Liquids. 5th edition. New York: McGraw-Hill Professional, 2000.