Chemical Properties of Chrysene, 5-ethyl- (CAS 54986-62-8)

InChI

InChI=1S/C20H16/c1-2-14-13-16-8-4-5-9-17(16)19-12-11-15-7-3-6-10-18(15)20(14)19/h3-13H,2H2,1H3

InChI Key

ORJZWFYYEFBNFP-UHFFFAOYSA-N

Formula

C20H16

SMILES

CCc1cc2ccccc2c2ccc3ccccc3c12

Molecular Weight¹

256.34

CAS

54986-62-8

• 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	[257.16; 651.15]	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			-1.00629e+02
Coefficient B			1.63532e+00
Coefficient C			-1.30444e-03
Coefficient D			4.20900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	257.16	J/mol×K	273.00	Calculated Property
Cp,gas	333.29	J/mol×K	353.78	Calculated Property
Cp,gas	398.22	J/mol×K	434.56	Calculated Property
Cp,gas	453.29	J/mol×K	515.33	Calculated Property
Cp,gas	499.83	J/mol×K	596.11	Calculated Property
Cp,gas	539.17	J/mol×K	676.89	Calculated Property
Cp,gas	572.64	J/mol×K	757.67	Calculated Property
Cp,gas	601.57	J/mol×K	838.44	Calculated Property
Cp,gas	627.30	J/mol×K	919.22	Calculated Property
Cp,gas	651.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0035170; 0.0007183]	Pa×s	[362.00; 705.73]	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			-8.91146e+00
Coefficient B			1.18060e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			362.00
Temperature range, max.			705.73
η	0.0035170	Pa×s	362.00	Calculated Property
η	0.0025763	Pa×s	400.19	Calculated Property
η	0.0019924	Pa×s	438.38	Calculated Property
η	0.0016057	Pa×s	476.58	Calculated Property
η	0.0013361	Pa×s	514.77	Calculated Property
η	0.0011404	Pa×s	552.96	Calculated Property
η	0.0009934	Pa×s	591.15	Calculated Property
η	0.0008800	Pa×s	629.35	Calculated Property
η	0.0007905	Pa×s	667.54	Calculated Property
η	0.0007183	Pa×s	705.73	Calculated Property

Similar Compounds

Find more compounds similar to Chrysene, 5-ethyl-.

Sources

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

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