CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	17.90	1.00	kJ mol^-1	webbook
Hfg(0K)		1.00	kJ mol^-1	webbook
Heat Capacity (298.15K)	126.00		J K^-1 mol^-1	webbook

Bond Type	Count
C-C	2
C:C	6
H-C	10

Atom 1	Atom 2
C1	C2
C1	C6
C1	C11
C2	C3
C2	H7
C3	C4
C3	H8
C4	C5
C4	C12
C5	C6
C5	H9
C6	H10
C11	H13
C11	H14
C11	H15
C12	H16
C12	H17
C12	H18

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_g	C_2h	True							C₂	1	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_g	C_2h	True						C₂	1	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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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	C2
C1	C6
C1	C11
C2	C3
C2	H7
C3	C4
C3	H8
C4	C5
C4	C12
C5	C6
C5	H9
C6	H10
C11	H13
C11	H14
C11	H15
C12	H16
C12	H17
C12	H18

squib	reference	DOI
1990Mil:8533	KJ Miller "Additivity Methods in Molecular Polarizability" J. Am. Chem. Soc. 1990, 112, 8533-8542	10.1021/ja00179a044
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
C1	C2
C1	C6
C1	C11
C2	C3
C2	H7
C3	C4
C3	H8
C4	C5
C4	C12
C5	C6
C5	H9
C6	H10
C11	H13
C11	H14
C11	H15
C12	H16
C12	H17
C12	H18

Experimental data for CH3C6H4CH3 (paraxylene)

Experimental data for CH₃C₆H₄CH₃ (paraxylene)

Atom 1	Atom 2
C1	C2
C1	C6
C1	C11
C2	C3
C2	H7
C3	C4
C3	H8
C4	C5
C4	C12
C5	C6
C5	H9
C6	H10
C11	H13
C11	H14
C11	H15
C12	H16
C12	H17
C12	H18