Chemical Properties of Pentacene (CAS 135-48-8)

Pentacene

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H
InChI Key
SLIUAWYAILUBJU-UHFFFAOYSA-N
Formula
C22H14
SMILES
c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1
Molecular Weight1
278.35
CAS
135-48-8
Other Names
  • 2,3,6,7-Dibenzanthracene
  • 2,3:6,7-Dibenzanthracene
  • Benzo[b]naphthacene
  • Lin-Dibenzanthracene
  • Lin-Naphthoanthracene
Sources

Physical Properties

Property Value Unit Source
BasG 836.00 kJ/mol NIST
EA 1.39 ± 0.04 eV NIST
Δf 644.48 kJ/mol Joback Calculated Property
Δfgas 468.99 kJ/mol Joback Calculated Property
Δfus 33.69 kJ/mol Joback Calculated Property
Δsub 184.00 ± 10.00 kJ/mol NIST
Δsub 184.00 ± 10.00 kJ/mol NIST
Δsub 158.00 kJ/mol NIST
Δvap 75.39 kJ/mol Joback Calculated Property
IE [6.23; 6.74] eV Show Hide
IE 6.63 ± 0.05 eV NIST
IE 6.61 eV NIST
IE 6.64 eV NIST
IE 6.74 ± 0.01 eV NIST
IE 6.60 ± 0.10 eV NIST
IE 6.61 eV NIST
IE 6.62 eV NIST
IE Outlier 6.23 eV NIST
IE 6.61 ± 0.02 eV NIST
logPoct/wat 6.30 Crippen Calculated Property
Pc 2347.36 kPa Joback Calculated Property
Tboil 820.30 K Joback Calculated Property
Tc 1089.89 K Joback Calculated Property
Tfus 544.00 ± 2.00 K NIST
Tfus 544.00 ± 3.00 K NIST
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 607.64 J/mol×K 820.3 Joback Calculated Property
η 0.00 Pa×s 820.3 Joback Calculated Property
ΔsubH 157.00 ± 14.00 kJ/mol 463.0 NIST
ΔsubH 157.70 kJ/mol 505.0 NIST
ΔsubH 154.00 ± 5.00 kJ/mol 510.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 8
=CH- (ring) 14

Similar Compounds

Nonacene. Octahelicene. Nonahelicene. Heptahelicene. Pentacyclo[10.4.4.44,9.06,22.015,19-]tetracosa-2,4,6,8,10,12,14,16,17,19,21,23-dodecane. Octacene. Heptacene. Anthracene. Naphthacene. Benzo[1,2,3-cd:4,5,6-c'd']diperylene. Bisnaphtho[1',2':5,6]phenanthro[3,4-c:4',3'-g]phenanthrene. Tetrabenzo[c,m,pqr,tuv]picene. Dibenzo[def,mno]chrysene. Dibenzo(c,g)phenanthrene. Benzo[b]chrysene.

Find more compounds similar to Pentacene.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.