CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-192.30	1.30	kJ mol^-1	webbook
Hfg(0K)		1.30	kJ mol^-1	webbook

Bond Type	Count
C-C	6
H-C	16

Atom 1	Atom 2
C1	H2
C1	C3
C1	C4
C1	C5
C3	H9
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	C8
C7	H19
C7	H20
C8	H21
C8	H22
C8	H23

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	C₁	True							C₁	3	5

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	C₁	True						C₁	3	5

	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	H2
C1	C3
C1	C4
C1	C5
C3	H9
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	C8
C7	H19
C7	H20
C8	H21
C8	H22
C8	H23

Atom 1	Atom 2
C1	H2
C1	C3
C1	C4
C1	C5
C3	H9
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	C8
C7	H19
C7	H20
C8	H21
C8	H22
C8	H23

Experimental data for C7H16 (3-methylhexane)

Experimental data for C₇H₁₆ (3-methylhexane)

Atom 1	Atom 2
C1	H2
C1	C3
C1	C4
C1	C5
C3	H9
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	C8
C7	H19
C7	H20
C8	H21
C8	H22
C8	H23