Chemical Properties of Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-6-octyl- (CAS 55281-94-2)

InChI

InChI=1S/C26H40/c1-2-3-4-5-6-7-13-21-19-26-22-14-9-8-12-20(22)17-18-25(26)24-16-11-10-15-23(21)24/h19-20,22H,2-18H2,1H3

InChI Key

QMLSEQMTIVHKQP-UHFFFAOYSA-N

Formula

C26H40

SMILES

CCCCCCCCc1cc2c(c3c1CCCC3)CCC1CCCCC21

Molecular Weight¹

352.60

CAS

55281-94-2

Other Names

• 12-n-Octyl-1,2,3,4,5,6,6a,7,8,9,10,10a-dodecahydrochrysene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1097.83; 1217.22]	J/mol×K	[878.58; 1099.07]
Cp,gas	1097.83	J/mol×K	878.58	Joback Calculated Property
Cp,gas	1120.41	J/mol×K	915.33	Joback Calculated Property
Cp,gas	1141.74	J/mol×K	952.08	Joback Calculated Property
Cp,gas	1161.95	J/mol×K	988.83	Joback Calculated Property
Cp,gas	1181.18	J/mol×K	1025.58	Joback Calculated Property
Cp,gas	1199.56	J/mol×K	1062.32	Joback Calculated Property
Cp,gas	1217.22	J/mol×K	1099.07	Joback Calculated Property
η	[0.0003801; 0.0019004]	Pa×s	[506.78; 878.58]
η	0.0019004	Pa×s	506.78	Joback Calculated Property
η	0.0012557	Pa×s	568.75	Joback Calculated Property
η	0.0009001	Pa×s	630.71	Joback Calculated Property
η	0.0006848	Pa×s	692.68	Joback Calculated Property
η	0.0005450	Pa×s	754.65	Joback Calculated Property
η	0.0004490	Pa×s	816.61	Joback Calculated Property
η	0.0003801	Pa×s	878.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Chrysene, 1,2,3,4,4a,7,8,9,10,11,12,12a-dodecahydro-6-octyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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