CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-208.40	0.67	kJ mol^-1	webbook
Hfg(0K)		0.67	kJ mol^-1	webbook
Entropy (298.15K)	467.06	0.92	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	187.80	0.40	J K^-1 mol^-1	webbook

Bond Type	Count
C-C	7
H-C	18

Atom 1	Atom 2
C1	C2
C1	C3
C1	H9
C1	H10
C2	C4
C2	H11
C2	H12
C3	C5
C3	H13
C3	H14
C4	C6
C4	H15
C4	H16
C5	C7
C5	H17
C5	H18
C6	C8
C6	H19
C6	H20
C7	H21
C7	H22
C7	H23
C8	H24
C8	H25
C8	H26

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							C_2h	0	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						C_2h	0	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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Atom 1	Atom 2
C1	C2
C1	C3
C1	H9
C1	H10
C2	C4
C2	H11
C2	H12
C3	C5
C3	H13
C3	H14
C4	C6
C4	H15
C4	H16
C5	C7
C5	H17
C5	H18
C6	C8
C6	H19
C6	H20
C7	H21
C7	H22
C7	H23
C8	H24
C8	H25
C8	H26

squib	reference	DOI
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
C1	C2
C1	C3
C1	H9
C1	H10
C2	C4
C2	H11
C2	H12
C3	C5
C3	H13
C3	H14
C4	C6
C4	H15
C4	H16
C5	C7
C5	H17
C5	H18
C6	C8
C6	H19
C6	H20
C7	H21
C7	H22
C7	H23
C8	H24
C8	H25
C8	H26

Experimental data for C8H18 (Octane)

Experimental data for C₈H₁₈ (Octane)

Atom 1	Atom 2
C1	C2
C1	C3
C1	H9
C1	H10
C2	C4
C2	H11
C2	H12
C3	C5
C3	H13
C3	H14
C4	C6
C4	H15
C4	H16
C5	C7
C5	H17
C5	H18
C6	C8
C6	H19
C6	H20
C7	H21
C7	H22
C7	H23
C8	H24
C8	H25
C8	H26