Chemical Properties of Simonellite

Simonellite

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

InChI
InChI=1S/C19H24/c1-13(2)14-7-9-16-15(12-14)8-10-18-17(16)6-5-11-19(18,3)4/h7-10,12-13H,5-6,11H2,1-4H3
InChI Key
XZDCNNOTTUOTGE-UHFFFAOYSA-N
Formula
C19H24
SMILES
CC(C)c1ccc2c(ccc3c2CCCC3(C)C)c1
Molecular Weight1
252.39
Sources

Physical Properties

Property Value Unit Source
Δf 339.99 kJ/mol Joback Calculated Property
Δfgas 34.30 kJ/mol Joback Calculated Property
Δfus 21.07 kJ/mol Joback Calculated Property
Δvap 62.34 kJ/mol Joback Calculated Property
logPoct/wat 5.58 Crippen Calculated Property
Pc 1885.44 kPa Joback Calculated Property
Tboil 705.53 K Joback Calculated Property
Tc 943.68 K Joback Calculated Property
Tfus 423.89 K Joback Calculated Property
Vc 0.85 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 634.12 J/mol×K 705.53 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
=CH- (ring) 5
=C< (ring) 5
>C< (ring) 1
-CH3 4
-CH2- (ring) 3

Similar Compounds

10,18-Bisnorabieta-5,7,9(10),11,13-pentaene. 1-Methyl-1,2,3,4-tetrahydrophenanthrene. Naphthalene, 1,2,3,4-tetrahydro-1,1-dimethyl-. 1,1-Diethyl-1,2,3,4-tetrahydronaphthalene. Phenanthrene, 1,2,3,4-tetrahydro-. Naphthalene, 1,2,3,4-tetrahydro-1,1,6-trimethyl-. 1,2,3,4-Tetrahydrochrysene. 5,16:8,13-Diethenodibenzo[a,g]cyclododecane, 6,7,14,15-tetrahydro. Pyrene, 1,2,3,3a,4,5-hexahydro-. 17-Methyl-16,17-dihydro-15H-cyclopenta(a)phenanthrene. 2,2,4a,9-Tetramethyl-1,2,3,4,4a,5,6,14b-octahydro-picene. 3-Ethyl-8,8,11a-trimethyl-2,3,6,7,7 a,8,9,10,11,11a-decahydro-1H-cyclopenta[a]chrysene. 1,2,4a,9-Tetramethyl-1,2,3,4,4a,5,6,14b-octahydro-picene. 1,1,5,6-Tetramethyl-1,2,3,4-tetrahydronaphthalene. Naphthalene, 1,2,3,4-tetrahydro-1-methyl-.

Find more compounds similar to Simonellite.

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.