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)	-106.69	0.84	kJ mol-1	webbook
Hfg(0K)		0.84	kJ mol-1	webbook
Entropy (298.15K)			J K-1 mol-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol-1
Heat Capacity (298.15K)	109.50		J K-1 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 C₆H₁₂ (Cyclopentane, methyl-).
Gas-phase IR spectra can be found in the NIST Chemistry Webbook here.

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

A	B	C	reference	comment

Calculated rotational constants for C₆H₁₂ (Cyclopentane, methyl-).

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 C₆H₁₂ (Cyclopentane, methyl-).

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

Bond Type	Count
H-C	12
C-C	6

Connectivity

Atom 1	Atom 2
H1	C2
C2	C5
C2	C8
C2	C18
H3	C5
H4	C5
C5	C14
H6	C8
H7	C8
C8	C11
H9	C11
H10	C11
C11	C14
H12	C14
H13	C14
H15	C18
H16	C18
H17	C18

Electronic energy levels (cm^-1)

Energy	Degeneracy	squib
0	1

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
9.700	0.100					webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for C₆H₁₂ (Cyclopentane, methyl-).
Electric quadrupole moment
Calculated electric quadrupole moments for C₆H₁₂ (Cyclopentane, methyl-).

References

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

Got a better number? Please email us at cccbdb@nist.gov