CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-297.10	kJ mol^-1	TRC
Hfg(0K)	-282.30	kJ mol^-1	TRC
Entropy (298.15K)	286.25	J K^-1 mol^-1	TRC
Integrated Heat Capacity (0 to 298.15K)	14.04	kJ mol^-1	TRC
Heat Capacity (298.15K)	71.24	J K^-1 mol^-1	webbook

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A'	3001		1963Dur:1225					CH stretch
2	A'	2935		1963Dur:1225					CH stretch
3	A'	1882		1963Dur:1225
4	A'	1475		1963Dur:1225
5	A'	1427		1963Dur:1225
6	A'	1319		1963Dur:1225
7	A'	1199		1963Dur:1225
8	A'	1093		1963Dur:1225
9	A'	1005		1963Dur:1225
10	A'	924		1963Dur:1225
11	A'	891		1963Dur:1225
12	A'	746		1963Dur:1225
13	A'	513		1963Dur:1225
14	A"	3028		1963Dur:1225					CH stretch
15	A"	3000		1963Dur:1225					CH stretch
16	A"	1184		1963Dur:1225
17	A"	1139		1963Dur:1225
18	A"	1046		1963Dur:1225
19	A"	790		1963Dur:1225
20	A"	490		1963Dur:1225
21	A"	113		1963Dur:1225

Bond Type	Count
H-C	4
C-C	2
C-O	2
C=O	1

Atom 1	Atom 2
O1	C2
O1	C7
C2	O3
C2	C4
C4	H5
C4	H6
C4	C7
C7	H8
C7	H9

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				4.180	NSRDS-NBS10	MW	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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squib	reference	DOI
1963Dur:1225	Durig. Far-infrared absorption, vibrational spectra and structure of beta-propiolactone. Spectrochimica Acta. Vol. 19. pgs. 1225-1233.	10.1016/0371-1951(63)80042-9
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
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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Experimental data for C3H4O2 (β–Propiolactone)

Experimental data for C₃H₄O₂ (β–Propiolactone)