CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-73.55	0.84	kJ mol^-1	webbook
Hfg(0K)		0.84	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

Bond Type	Count
H-C	8
H-N	4
C-C	3
C-N	2

Atom 1	Atom 2
N1	H2
N1	H3
N1	C14
C4	H5
C4	H6
C4	H7
C4	C11
N8	H9
N8	H10
N8	C17
C11	H12
C11	H13
C11	C17
C14	H15
C14	H16
C14	C17
C17	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	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
N1	H2
N1	H3
N1	C14
C4	H5
C4	H6
C4	H7
C4	C11
N8	H9
N8	H10
N8	C17
C11	H12
C11	H13
C11	C17
C14	H15
C14	H16
C14	C17
C17	H18

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Atom 1	Atom 2
N1	H2
N1	H3
N1	C14
C4	H5
C4	H6
C4	H7
C4	C11
N8	H9
N8	H10
N8	C17
C11	H12
C11	H13
C11	C17
C14	H15
C14	H16
C14	C17
C17	H18

Experimental data for C4H12N2 (1,2-Butanediamine)

Experimental data for C₄H₁₂N₂ (1,2-Butanediamine)

Atom 1	Atom 2
N1	H2
N1	H3
N1	C14
C4	H5
C4	H6
C4	H7
C4	C11
N8	H9
N8	H10
N8	C17
C11	H12
C11	H13
C11	C17
C14	H15
C14	H16
C14	C17
C17	H18