CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-226.20	2.00	kJ mol^-1	webbook
Hfg(0K)		2.00	kJ mol^-1	webbook
Entropy (298.15K)	389.30	1.30	J K^-1 mol^-1	webbook
Heat Capacity (298.15K)	187.20	0.60	J K^-1 mol^-1	webbook

Bond Type	Count
H-C	18
C-C	7

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	C5
C2	C6
C2	C7
C2	C8
C3	H9
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
C5	H15
C5	H16
C5	H17
C6	H18
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	¹A₁	D_3d	False							D_3d	0	1
1	2	¹A₁	D₃	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	¹A₁	D_3d	False						D_3d	0	1
1	2	¹A₁	D₃	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	C3
C1	C4
C1	C5
C2	C6
C2	C7
C2	C8
C3	H9
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
C5	H15
C5	H16
C5	H17
C6	H18
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	C4
C1	C5
C2	C6
C2	C7
C2	C8
C3	H9
C3	H10
C3	H11
C4	H12
C4	H13
C4	H14
C5	H15
C5	H16
C5	H17
C6	H18
C6	H19
C6	H20
C7	H21
C7	H22
C7	H23
C8	H24
C8	H25
C8	H26

Experimental data for (CH3)3CC(CH3)3 (tetramethylbutane)

Experimental data for (CH₃)₃CC(CH₃)₃ (tetramethylbutane)

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