CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-3.31	kJ mol^-1	webbook
Hfg(0K)		kJ mol^-1	webbook
Entropy (298.15K)		J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)		kJ mol^-1
Heat Capacity (298.15K)	124.22	J K^-1 mol^-1	TRC

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCN	1.159	0.001	2	6			1962Nug/Man:965-971

Bond Type	Count
H-C	9
C-C	4
C#N	1

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	C5
C2	N6
C3	H7
C3	H10
C3	H11
C4	H8
C4	H12
C4	H13
C5	H9
C5	H14
C5	H15

	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	C4
C1	C5
C2	N6
C3	H7
C3	H10
C3	H11
C4	H8
C4	H12
C4	H13
C5	H9
C5	H14
C5	H15

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	C5
C2	N6
C3	H7
C3	H10
C3	H11
C4	H8
C4	H12
C4	H13
C5	H9
C5	H14
C5	H15

Experimental data for C5H9N (Propanenitrile, 2,2-dimethyl-)

Experimental data for C₅H₉N (Propanenitrile, 2,2-dimethyl-)

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	C5
C2	N6
C3	H7
C3	H10
C3	H11
C4	H8
C4	H12
C4	H13
C5	H9
C5	H14
C5	H15