return to home page Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
You are here: Experimental > One molecule all properties

Experimental data for C19H16 (Triphenylmethane)

22 02 02 11 45
Other names
Methane, triphenyl-; Tritane; 1,1',1''-Methanetriyltribenzene;
INChI INChIKey SMILES IUPAC name
InChI=1S/C19H16/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19H AAAQKTZKLRYKHR-UHFFFAOYSA-N C(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3 1,1',1''-Methanetriyltribenzene
State Conformation
1A C3
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) enthalpy of formation 276.10 5.00 kJ mol-1 webbook
Hfg(0K) enthalpy of formation   5.00 kJ mol-1 webbook
Entropy (298.15K) entropy 541.00   J K-1 mol-1 webbook
Information can also be found for this species in the NIST Chemistry Webbook
Vibrational levels (cm-1) vibrations
Mode Number Symmetry Frequency Intensity Comment Description
Fundamental(cm-1) Harmonic(cm-1) Reference (km mol-1) unc. Reference

Calculated vibrational frequencies for C19H16 (Triphenylmethane).
Rotational Constants (cm-1) rotational constants
See section I.F.4 to change rotational constant units
A B C reference comment

Calculated rotational constants for C19H16 (Triphenylmethane).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Triphenylmethane

Point Group C3


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 bond lengths
Distances in Å
 

Calculated geometries for C19H16 (Triphenylmethane).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 16
C-C 3
C:C 18

Connectivity
Atom 1 Atom 2
C1 H2
C1 C3
C1 C4
C1 C5
C3 C6
C3 C9
C4 C7
C4 C10
C5 C8
C5 C11
C6 C12
C6 H21
C7 C13
C7 H22
C8 C14
C8 H23
C9 C15
C9 H24
C10 C16
C10 H25
C11 C17
C11 H26
C12 C18
C12 H27
C13 C19
C13 H28
C14 C20
C14 H29
C15 C18
C15 H30
C16 C19
C16 H31
C17 C20
C17 H32
C18 H33
C19 H34
C20 H35
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. reference
8.340 0.030     webbook
Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
State Config State description Conf description Exp. min. Dipole (Debye) Reference comment Point Group Components
x y z total dipole quadrupole
1 1 1A C3 True           C3 1 1
Experimental dipole measurement abbreviations: MW microwave; DT Dielectric with Temperature variation; DR Indirect (usually an upper limit); MB Molecular beam
Calculated electric dipole moments for C19H16 (Triphenylmethane).
Electric quadrupole moment quadrupole
State Config State description Conf description Exp. min. Quadrupole (D Å) Reference comment Point Group Components
xx yy zz dipole quadrupole
1 1 1A C3 True       C3 1 1

Calculated electric quadrupole moments for C19H16 (Triphenylmethane).
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 [email protected].
squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

Got a better number? Please email us at [email protected]

Browse
PreviousNext