CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-223.84	1.00	kJ mol^-1	webbook
Hfg(0K)		1.00	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)	99.10		J K^-1 mol^-1	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.116		2	3			1987Kuchitsu(II/15)
rCO	1.420		1	7			1987Kuchitsu(II/15)
rCC	1.531		2	5			1987Kuchitsu(II/15)
aHCH	109.4		3	2	4		1987Kuchitsu(II/15)
aCOC	112.3		7	1	8		1987Kuchitsu(II/15)
aCCC	109.6		5	2	6		1987Kuchitsu(II/15)	opposide O
aCCO	112		1	7	6		1987Kuchitsu(II/15)
aCCC	110		2	6	7		1987Kuchitsu(II/15)	from C with O
dCCCO	56.1		1	8	5	2	1987Kuchitsu(II/15)
dCCCC	53		6	2	5	8	1987Kuchitsu(II/15)
dCOCC	59.3		6	7	1	8	1987Kuchitsu(II/15)

Bond Type	Count
H-C	10
C-C	4
C-O	2

Atom 1	Atom 2
O1	C7
O1	C8
C2	H3
C2	H4
C2	C5
C2	C6
C5	C8
C5	H9
C5	H11
C6	C7
C6	H10
C6	H12
C7	H13
C7	H15
C8	H14
C8	H16

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				1.740	1974Hel/Hel(II/6)	μ_a=1.53± 0.02 μ_b=0.82± 0.02	C_s	2	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
O1	C7
O1	C8
C2	H3
C2	H4
C2	C5
C2	C6
C5	C8
C5	H9
C5	H11
C6	C7
C6	H10
C6	H12
C7	H13
C7	H15
C8	H14
C8	H16

Atom 1	Atom 2
O1	C7
O1	C8
C2	H3
C2	H4
C2	C5
C2	C6
C5	C8
C5	H9
C5	H11
C6	C7
C6	H10
C6	H12
C7	H13
C7	H15
C8	H14
C8	H16

Experimental data for C5H10O (2H-Pyran, tetrahydro-)

Experimental data for C₅H₁₀O (2H-Pyran, tetrahydro-)

Atom 1	Atom 2
O1	C7
O1	C8
C2	H3
C2	H4
C2	C5
C2	C6
C5	C8
C5	H9
C5	H11
C6	C7
C6	H10
C6	H12
C7	H13
C7	H15
C8	H14
C8	H16