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Experimental data for C7H10 (Norbornene)

22 02 02 11 45
Other names
Bicyclo[2.2.1]hept-2-ene; Bicyclo[2.2.1]heptene; Norbornylene; Norcamphene;
INChI INChIKey SMILES IUPAC name
InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2 JFNLZVQOOSMTJK-UHFFFAOYSA-N [C@H]1(CC2)C[C@@H]2C=C1 Bicyclo[2.2.1]hept-2-ene
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
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
1 A' 3061   2003Par/Will:1508–1514      
2 A' 2975          
3 A' 2946          
4 A' 2918          
5 A' 2876          
6 A' 2871          
7 A' 1575          
8 A' 1478          
9 A' 1452          
10 A' 1299          
11 A' 1284          
12 A' 1168          
13 A' 1126          
14 A' 1093          
15 A' 1021          
16 A' 964          
17 A' 938          
18 A' 907          
19 A' 873          
20 A' 811          
21 A' 769          
22 A' 710          
23 A' 472          
24 A' 375          
25 A" 3061          
26 A" 2946          
27 A" 2918          
28 A" 2871          
29 A" 1444          
30 A" 1340          
31 A" 1271          
32 A" 1262          
33 A" 1254          
34 A" 1208          
35 A" 1167          
36 A" 1115          
37 A" 1035          
38 A" 955          
39 A" 946          
40 A" 927          
41 A" 833          
42 A" 794          
43 A" 664          
44 A" 475          
45 A" 252          

vibrational zero-point energy: 32350.0 cm-1 (from fundamental vibrations)
Calculated vibrational frequencies for C7H10 (Norbornene).
Gas-phase IR spectra can be found in the NIST Chemistry Webbook here.
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 C7H10 (Norbornene).
Product of moments of inertia moments of inertia
amu3Å6   0gm3 cm6
Geometric Data
picture of Norbornene

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 C7H10 (Norbornene).

Bond descriptions


Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond
Bond Type Count
H-C 10
C-C 7
C=C 1

Connectivity
Atom 1 Atom 2
C1 C2
C1 C3
C1 H8
C1 H9
C2 C4
C2 C6
C2 H10
C3 C5
C3 C7
C3 H11
C4 C5
C4 H12
C5 H13
C6 C7
C6 H14
C7 H17
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
8.600       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 C7H10 (Norbornene).
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 C7H10 (Norbornene).

References
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squib reference DOI
2003Par/Will:1508–1514 SF Parker, KPJ Williams, D Steele, H Hermand "The vibrational spectra of norbornene and nadic anhydride" Phys. Chem. Chem. Phys., 2003, 5, 1508–1514 10.1039/B211967F
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry) 10.18434/T4D303

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