Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)

Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-69.50	0.56	kJ mol-1	webbook
Hfg(0K)		0.56	kJ mol-1	webbook
Entropy (298.15K)			J K-1 mol-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol-1

Information can also be found for this species in the NIST Chemistry Webbook

Vibrational levels (cm^-1)

Mode Number	Symmetry	Frequency (cm-1)	Frequency Reference	Intensity (km mol-1)	Int. unc.	Intensity Reference	Comment

Calculated vibrational frequencies for C₄H₇NO (Ethoxyacetonitrile).

Rotational Constants (cm^-1)
See section I.F.4 to change rotational constant units

A	B	C	reference	comment

Calculated rotational constants for C₄H₇NO (Ethoxyacetonitrile).

Product of moments of inertia
	amu3Å6		0	gm3 cm6

Geometric Data

Point Group C₁

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description	Value	unc.	Connectivity				Reference	Comment
			Atom 1	Atom 2	Atom 3	Atom 4

Cartesians

Atom	x (Å)	y (Å)	z (Å)

Atom - Atom Distances
Distances in Å
Calculated geometries for C₄H₇NO (Ethoxyacetonitrile).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type	Count
H-C	7
C-C	2
C#N	1
C-O	2

Connectivity

Atom 1	Atom 2
O1	C4
O1	C7
H2	C4
H3	C4
C4	C13
H5	C7
H6	C7
C7	C11
H8	C11
H9	C11
H10	C11
N12	C13

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for C₄H₇NO (Ethoxyacetonitrile).
Electric quadrupole moment
Calculated electric quadrupole moments for C₄H₇NO (Ethoxyacetonitrile).

References
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squib	reference	DOI
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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