Chemical Properties of Chrysene, 6-octyl- (CAS 56248-66-9)

InChI

InChI=1S/C26H28/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/h8-12,14-19H,2-7,13H2,1H3

InChI Key

KTSUECCHGKCKHX-UHFFFAOYSA-N

Formula

C26H28

SMILES

CCCCCCCCc1cc2c3ccccc3ccc2c2ccccc12

Molecular Weight¹

340.50

CAS

56248-66-9

Other Names

• 6-n-Octylchrysene
• 6-octylchrysene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• IE : Ionization energy (eV).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[384.44; 960.70]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.06083e+02
Coefficient B			2.20532e+00
Coefficient C			-1.63084e-03
Coefficient D			4.92300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	384.44	J/mol×K	273.00	Calculated Property
Cp,gas	491.79	J/mol×K	353.78	Calculated Property
Cp,gas	584.68	J/mol×K	434.56	Calculated Property
Cp,gas	664.67	J/mol×K	515.33	Calculated Property
Cp,gas	733.30	J/mol×K	596.11	Calculated Property
Cp,gas	792.14	J/mol×K	676.89	Calculated Property
Cp,gas	842.74	J/mol×K	757.67	Calculated Property
Cp,gas	886.66	J/mol×K	838.44	Calculated Property
Cp,gas	925.46	J/mol×K	919.22	Calculated Property
Cp,gas	960.70	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013363; 0.0005004]	Pa×s	[544.86; 785.78]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-9.82156e+00
Coefficient B			1.74556e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			544.86
Temperature range, max.			785.78
η	0.0013363	Pa×s	544.86	Calculated Property
η	0.0011501	Pa×s	571.63	Calculated Property
η	0.0010033	Pa×s	598.40	Calculated Property
η	0.0008855	Pa×s	625.17	Calculated Property
η	0.0007895	Pa×s	651.94	Calculated Property
η	0.0007104	Pa×s	678.71	Calculated Property
η	0.0006444	Pa×s	705.47	Calculated Property
η	0.0005886	Pa×s	732.24	Calculated Property
η	0.0005412	Pa×s	759.01	Calculated Property
η	0.0005004	Pa×s	785.78	Calculated Property

Similar Compounds

Find more compounds similar to Chrysene, 6-octyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
These property values are available through the Cheméo API. A free account gives you an access key.