Chemical Properties of 20-Methylcholanthrene (CAS 56-49-5)

20-Methylcholanthrene

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

InChI
InChI=1S/C21H16/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-9,12H,10-11H2,1H3
InChI Key
PPQNQXQZIWHJRB-UHFFFAOYSA-N
Formula
C21H16
SMILES
Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3
Molecular Weight1
268.35
CAS
56-49-5
Other Names
  • 1,2-Dihydro-3-methylbenz[j]aceanthrylene
  • 20-MC
  • 20-Methylcholanthrene
  • 3-MC
  • 3-MCA
  • 3-Methylcholanthrene-(20)
  • Benz[j]aceanthrylene, 1,2-dihydro-3-methyl-
  • Cholanthrene, 20(3)-methyl
  • Cholanthrene, 3-methyl-
  • MC
  • MCA
  • Methylcholanthrene
  • NSC 21970
  • Rcra waste number U157
Sources

Physical Properties

Property Value Unit Source
Δf 590.71 kJ/mol Joback Calculated Property
Δfgas 374.92 kJ/mol Joback Calculated Property
Δfus 32.46 kJ/mol Joback Calculated Property
Δvap 72.90 kJ/mol Joback Calculated Property
IE 7.66 eV NIST
logPoct/wat 5.55 Crippen Calculated Property
Pc 2256.81 kPa Joback Calculated Property
Tboil 553.20 K NIST
Tc 1051.83 K Joback Calculated Property
Tfus 442.40 ± 0.80 K NIST
Vc 0.84 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 599.80 J/mol×K 795.54 Joback Calculated Property
η 0.00 Pa×s 795.54 Joback Calculated Property
ΔsubH 127.20 kJ/mol 401.0 NIST
ΔsubH 127.20 ± 2.40 kJ/mol 413.0 NIST
ΔvapH 93.80 kJ/mol 398.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 9
-CH3 1
-CH2- (ring) 2
=CH- (ring) 9

Similar Compounds

1,2-Dihydroben[j]aceanthrylene. Cyclopenta(cd)pyrene, 3,4-dihydro-. ACEPHENANTHRYLENE, 4,5-DIHYDRO-. Pyracene. Benz[j]aceanthrylen-1-ol, 1,2-dihydro-3-methyl-. Acenaphthene. Pyrene, 4,5-dihydro-. Benzo[a]pyrene, 4,5-dihydro-. 1-Ethyl-2-methylphenanthrene. 9-methyl-10-ethylphenanthrene. 9,10-diethylphenanthrene. 1,5-(Ethano[1,4]benzeneoethano)naphthalene. Syn-(5,16:8,13)-diethenodibenzo[a,g]cyclododecene 6,7,14,15-tetrahydro-. Acenaphthylene, 1,2-dihydro-5-pentadecyl-. Acepleiadane.

Find more compounds similar to 20-Methylcholanthrene.

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.