CCCBDB listing of experimental data page 2

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Property	Value	units	Reference
Hfg(298.15K)	-398.32	kJ mol^-1	webbook
Hfg(0K)		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	6
C-C	1
C-O	2
C=O	1

Atom 1	Atom 2
C1	C2
C1	H6
C1	H7
C1	H8
C2	O3
C2	H9
C2	H10
O3	C4
C4	O5
C4	H11

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^'	CS trans	True	1.850	0.690		1.980	1974Hel/Hel(II/6)	μ_a=1.85± 0.01 μ_b=0.69± 0.01	C_s	2	3
1	2	¹A	C1 gauche	False	1.440	1.050	0.250	1.810	1974Hel/Hel(II/6)	MW μ₀ ±0.02 D	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^'	CS trans	True						C_s	2	3
1	2	¹A	C1 gauche	False						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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squib	reference	DOI
1967RIv/Wil:4605	Riveros, J.; Wilson, E. "Microwave Spectrum and Rotational Isomerism of Ethyl Formate." Journal of Chemical Physics. 46, 4605-4612 (1967)	10.1063/1.1840610
1974Hel/Hel(II/6)	Hellwege, KH and AM Hellwege (eds.). Landolt-Bornstein: Group II: Volume 6 Molecular Constants from Microwave, Molecular Beam, and Electron Spin Resonance Spectroscopy Springer-Verlag. Berlin. 1974.	10.1007/b19951
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for HCOOC2H5 (Ethyl formate)

Experimental data for HCOOC₂H₅ (Ethyl formate)