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)	-30.30	5.30	kJ mol-1	Webbook
Hfg(0K)		5.30	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 C₅H₅NO (4-Pyridinol).

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

A	B	C	reference	comment

Calculated rotational constants for C₅H₅NO (4-Pyridinol).

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

Cartesians

Atom	x (Å)	y (Å)	z (Å)

Atom - Atom Distances
Distances in Å
Calculated geometries for C₅H₅NO (4-Pyridinol).

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

Bond Type	Count
C:C	4
C:N	2
C-O	1
H-C	4
H-O	1

Connectivity

Atom 1	Atom 2
N1	C2
N1	C6
C2	C3
C2	H8
C3	C4
C3	H9
C4	C5
C4	O7
C5	C6
C5	H10
C6	H11
O7	H12

Electronic energy levels (cm^-1)

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

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
9.800	0.030					webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for C₅H₅NO (4-Pyridinol).
Electric quadrupole moment
Calculated electric quadrupole moments for C₅H₅NO (4-Pyridinol).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.

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

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