CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-149.60	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Heat Capacity (298.15K)	98.09	J K^-1 mol^-1	webbook

Bond Type	Count
C-O	2
C=O	1
C-C	2
C=C	2
H-C	4

Atom 1	Atom 2
O1	C2
O1	C4
C2	C3
C2	H8
C3	C5
C3	H9
C4	C5
C4	C6
C5	H10
C6	O7
C6	H11

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	¹A^'	OCCO cis	False	3.410	1.930		3.920	1965Mon/Dre:1323-1326	x=a, y=b MW μ₀	C_s	2	3
1	2	¹A^'	OCCO trans	True	3.200	0.400		3.540	1965Mon/Dre:1323-1326	x=a, y=b MW μ₀	C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	OCCO cis	False						C_s	2	3
1	2	¹A^'	OCCO trans	True						C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1965Mon/Dre:1323-1326	F Mönnig, H Dreizler, HD Rudolph "Mikrowellenspektrum von Furfurol und Thiophen-2-aldehyd" Z. Naturforsch., 20a (1965), pp. 1323-1326	10.1515/zna-1965-1015
2006Mot/Ale:93	RA Motiyenko, EA Alekseev, SF Dyubko, FJ Lovas "Microwave spectrum and structure of furfural" J. Mol. Spect. 240 (2006) 93-101	10.1016/j.jms.2006.09.003
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C5H4O2 (furfural)

Experimental data for C₅H₄O₂ (furfural)