CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	689.52	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)	223.40	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	32.05	J K^-1 mol^-1	webbook

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	Σ	646	655	1993Bra:2790

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCAl	1.955		1	2			1993Bra:2790	re

Atom	x (Å)	y (Å)	z (Å)
Al1	0.0000	0.0000	0.0000
C2	0.0000	0.0000	1.9550

	Al1	C2
Al1		1.9550
C2	1.9550

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Experimental > One molecule all properties

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	⁴Σ	C_∞v	True							C_∞v	1	1

squib	reference	DOI
1993Bra:2790	CR Brazier "First gas phase spectrum of the aluminum carbide molecule: The B 4Sigma- to X 4Sigma- system" J. Chem. Phys. 98 (4) 2790, 1993	10.1063/1.464160
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for AlC (Aluminum carbide)