CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-293.00	2.00	kJ mol^-1	webbook
Hfg(0K)		2.00	kJ mol^-1	webbook
Entropy (298.15K)	422.50		J K^-1 mol^-1	webbook

Bond Type	Count
C-O	2
C-C	4
H-C	14

Atom 1	Atom 2
O1	C2
O1	C3
C2	C4
C2	H8
C2	H9
C3	C5
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	H19
C7	H20
C7	H21

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	C_2v	False				1.210	NSRDS-NBS10	DT	C_2v	1	2
1	2	¹A	C₂	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	C_2v	False						C_2v	1	2
1	2	¹A	C₂	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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Atom 1	Atom 2
O1	C2
O1	C3
C2	C4
C2	H8
C2	H9
C3	C5
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	H19
C7	H20
C7	H21

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
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
O1	C2
O1	C3
C2	C4
C2	H8
C2	H9
C3	C5
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	H19
C7	H20
C7	H21

Experimental data for C3H7OC3H7 (di-n-propyl ether)

Experimental data for C₃H₇OC₃H₇ (di-n-propyl ether)

Atom 1	Atom 2
O1	C2
O1	C3
C2	C4
C2	H8
C2	H9
C3	C5
C3	H10
C3	H11
C4	C6
C4	H12
C4	H13
C5	C7
C5	H14
C5	H15
C6	H16
C6	H17
C6	H18
C7	H19
C7	H20
C7	H21