CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-283.80	0.90	kJ mol^-1	webbook
Hfg(0K)		0.90	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	9
H-O	1
C-C	3
C-O	1

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	H6
C2	O5
C2	H13
C2	H14
C3	H7
C3	H8
C3	H9
C4	H10
C4	H11
C4	H12
O5	H15

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				1.640	NSRDS-NBS10	DT	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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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	H6
C2	O5
C2	H13
C2	H14
C3	H7
C3	H8
C3	H9
C4	H10
C4	H11
C4	H12
O5	H15

squib	reference	DOI
1989Dur/Gui:738	Durig, J.R.; Guigis, G.A.; Little, T.S.; Stiefvater, O.L. "Conformational stability and barriers to internal rotation of 2-methylpropanal by far infrared and microwave spectroscopy." Journal of Chemical Physics. 91, 738-751 (1989)	10.1063/1.457126
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
C1	C2
C1	C3
C1	C4
C1	H6
C2	O5
C2	H13
C2	H14
C3	H7
C3	H8
C3	H9
C4	H10
C4	H11
C4	H12
O5	H15

Experimental data for C4H10O (1-Propanol, 2-methyl-)

Experimental data for C₄H₁₀O (1-Propanol, 2-methyl-)

Atom 1	Atom 2
C1	C2
C1	C3
C1	C4
C1	H6
C2	O5
C2	H13
C2	H14
C3	H7
C3	H8
C3	H9
C4	H10
C4	H11
C4	H12
O5	H15