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)	-12.00		kJ mol-1	webbook
Hfg(0K)			kJ mol-1	webbook

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 C₃H₅Cl (1-chloro-1-propene(E)).

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

A	B	C	reference	comment

Calculated rotational constants for C₃H₅Cl (1-chloro-1-propene(E)).

Product of moments of inertia
	amu3Å6		0	gm3 cm6

Geometric Data

Point Group C_s

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
rCCl	1.728	0.015	1	4			1976 Hellwege (II/7)
aCCCl	121.9	1	2	1	4		1976 Hellwege (II/7)

Cartesians

Atom	x (Å)	y (Å)	z (Å)

Atom - Atom Distances
Distances in Å
Calculated geometries for C₃H₅Cl (1-chloro-1-propene(E)).

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

Bond Type	Count
C-C	1
C=C	1
C-Cl	1
H-C	5

Connectivity

Atom 1	Atom 2
C1	C2
C1	Cl4
C1	H5
C2	C3
C2	H6
C3	H7
C3	H8
C3	H9

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1		1A'

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for C₃H₅Cl (1-chloro-1-propene(E)).
Electric quadrupole moment
Calculated electric quadrupole moments for C₃H₅Cl (1-chloro-1-propene(E)).

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

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