CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-295.63	0.74	kJ mol^-1	TRC
Hfg(0K)	-260.40	0.74	kJ mol^-1	TRC
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1
Heat Capacity (298.15K)	130.70		J K^-1 mol^-1	TRC

Bond Type	Count
H-C	11
H-O	1
C-C	4
C-O	1

Atom 1	Atom 2
O1	H2
O1	C3
C3	H4
C3	H5
C3	C6
C6	H7
C6	H8
C6	C9
C9	H10
C9	H11
C9	C12
C12	H13
C12	H14
C12	C15
C15	H16
C15	H17
C15	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^'	C_s	True							C_s	2	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	¹A^'	C_s	True						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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You are here: Experimental > One molecule all properties

Atom 1	Atom 2
O1	H2
O1	C3
C3	H4
C3	H5
C3	C6
C6	H7
C6	H8
C6	C9
C9	H10
C9	H11
C9	C12
C12	H13
C12	H14
C12	C15
C15	H16
C15	H17
C15	H18

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
TRC	Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Atom 1	Atom 2
O1	H2
O1	C3
C3	H4
C3	H5
C3	C6
C6	H7
C6	H8
C6	C9
C9	H10
C9	H11
C9	C12
C12	H13
C12	H14
C12	C15
C15	H16
C15	H17
C15	H18

Experimental data for C5H12O (1-Pentanol)

Experimental data for C₅H₁₂O (1-Pentanol)

Atom 1	Atom 2
O1	H2
O1	C3
C3	H4
C3	H5
C3	C6
C6	H7
C6	H8
C6	C9
C9	H10
C9	H11
C9	C12
C12	H13
C12	H14
C12	C15
C15	H16
C15	H17
C15	H18