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Experimental data for CH3C6H4CH3 (meta-xylene)

22 02 02 11 45
Other names
Benzene, 1,3-dimethyl-; m-Xylene; m-Dimethylbenzene; m-Xylol; 1,3-Dimethylbenzene; 1,3-Xylene; 2,4-Xylene; m-Methyltoluene; meta-Xylene;
INChI INChIKey SMILES IUPAC name
InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3 IVSZLXZYQVIEFR-UHFFFAOYSA-N CC1=CC(C)=CC=C1 m-Xylene
State Conformation
1A' CS
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 17.20 0.75 kJ mol-1 webbook
Hfg(0K) enthalpy of formation   0.75 kJ mol-1 webbook
Entropy (298.15K) entropy 358.20 1.30 J K-1 mol-1 webbook
Heat Capacity (298.15K) heat capacity 125.80 0.40 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 CH3C6H4CH3 (meta-xylene).
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 CH3C6H4CH3 (meta-xylene).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of meta-xylene

Point Group Cs


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 CH3C6H4CH3 (meta-xylene).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
C:C 6
C-C 2
H-C 10

Connectivity
Atom 1 Atom 2
C1 C2
C1 C6
C1 C7
C2 C3
C2 H9
C3 C4
C3 C8
C4 C5
C4 H10
C5 C6
C5 H11
C6 H12
C7 H13
C7 H14
C7 H15
C8 H16
C8 H17
C8 H18
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
8.550 0.020     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' Cs True           Cs 2 3
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 CH3C6H4CH3 (meta-xylene).
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' Cs True       Cs 2 3

Calculated electric quadrupole moments for CH3C6H4CH3 (meta-xylene).

References
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squib reference DOI
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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