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II.A.1. (XV.A.)

Listing of experimental data for C5H10 (2-Pentene, (Z)-)

Other names
2-(Z)-C5H10; (Z)-2-Pentene; 2-Pentene, (Z)-; cis-β-Amylene; cis-2-Pentene; cis-Pentene;
INChI
InChI=1/C5H10/c1-3-5-4-2/h3,5H,4H2,1-2H3/b5-3-
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 -26.30 0.84 kJ mol-1 TRC
Hfg(0K) enthalpy of formation 1.30 0.84 kJ mol-1 TRC
Entropy (298.15K) entropy 347.40   J K-1 mol-1 TRC
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 20.00   kJ mol-1 TRC
Heat Capacity (298.15K) heat capacity 98.80   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 (cm-1) Frequency Reference Intensity (km mol-1) Int. unc. Intensity Reference Comment

Calculated vibrational frequencies for C5H10 (2-Pentene, (Z)-).
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
0.36651 0.08677 0.07910 NISThydrocarbon

Calculated rotational constants for C5H10 (2-Pentene, (Z)-).

Product of moments of inertia moments of inertia
1904271amu3Å6   8.719603589412E-114gm3 cm6

Geometric Data
picture of 2-Pentene, (Z)-

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
rCC 1.490   8 14 1987Kuchitsu(II/15) end C to C=
rCC 1.338   12 14 1987Kuchitsu(II/15)
rCC 1.561   1 5 1987Kuchitsu(II/15) end away from =
rCH 1.092   1 2 1987Kuchitsu(II/15) methyl groups
rCH 1.058   12 13 1987Kuchitsu(II/15) C has =
aCCC 127.4 8 14 12 1987Kuchitsu(II/15) from end
aCCC 112.4 1 5 12 1987Kuchitsu(II/15)
aHCC 124 12 14 15 1987Kuchitsu(II/15)
aHCC 114.2 2 1 5 1987Kuchitsu(II/15)

Cartesians
Atom x (Å) y (Å) z (Å)

Atom - Atom Distances bond lengths
Distances in Å
 

Calculated geometries for C5H10 (2-Pentene, (Z)-).

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 3
C=C 1

Connectivity
Atom 1 Atom 2
C1 H2
C1 H3
C1 H4
C1 C5
C5 H6
C5 H7
C5 C12
C8 H9
C8 H10
C8 H11
C8 C14
C12 H13
C12 C14
C14 H15

Electronic energy levels (cm-1)
EnergyDegeneracysquib
0 1  

Ionization Energies (eV)
Ionization Energy I.E. unc. vertical I.E. v.I.E. unc. Electron Affinity E.A. unc. reference
9.010 0.030 9.220 0.010     webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment dipole
Dipole (Debye) Reference
0.283 NISThydrocarbon

Calculated electric dipole moments for C5H10 (2-Pentene, (Z)-).
Electric quadrupole moment quadrupole
Calculated electric quadrupole moments for C5H10 (2-Pentene, (Z)-).
References
squib reference
1987Kuchitsu(II/15) Kuchitsu (ed.), Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 15: Structure Data of Free Polyatomic Molecules. Springer-Verlag, Berlin, 1987.
NISThydrocarbon NIST Hydrocarbon spectral database (http://www.physics.nist.gov/PhysRefData/MolSpec/Hydro/index.html)
TRC Frenkel, M; Marsh, K.N.; Wilhoit, R.C.; Kabo, G.J.; Roganov, G.N.,Thermodynamics of Organic Compounds in the Gas State,Thermodynamics Research Center, College Station, TX, 1994
webbook NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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

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