Chemical Properties of aceanthrylene (CAS 202-03-9)

InChI

InChI=1S/C16H10/c1-2-7-14-12(4-1)10-13-6-3-5-11-8-9-15(14)16(11)13/h1-10H

InChI Key

JDPAVWAQGBGGHD-UHFFFAOYSA-N

Formula

C16H10

SMILES

C1=Cc2c3ccccc3cc3cccc1c23

Molecular Weight¹

202.25

CAS

202-03-9

• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	352.10	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.49	kJ/mol	Joback Calculated Property
ΔvapH°	90.38	kJ/mol	Relay (1.0) Calculated Property
IE	7.16	eV	Relay (1.0) Calculated Property
log10WS	-6.02		Relay (1.0) Calculated Property
logPoct/wat	4.477		Crippen Calculated Property
McVol	158.460	ml/mol	McGowan Calculated Property
Inp	[341.50; 344.20]
Inp	341.50		NIST
Inp	344.20		NIST
Tboil	653.05	K	Relay (1.0) Calculated Property
Tfus	377.95	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.01; 475.57]	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			-1.08830e+02
Coefficient B			1.39000e+00
Coefficient C			-1.25940e-03
Coefficient D			4.53800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.01	J/mol×K	273.00	Calculated Property
Cp,gas	245.39	J/mol×K	353.78	Calculated Property
Cp,gas	294.62	J/mol×K	434.56	Calculated Property
Cp,gas	335.13	J/mol×K	515.33	Calculated Property
Cp,gas	368.37	J/mol×K	596.11	Calculated Property
Cp,gas	395.76	J/mol×K	676.89	Calculated Property
Cp,gas	418.74	J/mol×K	757.67	Calculated Property
Cp,gas	438.74	J/mol×K	838.44	Calculated Property
Cp,gas	457.21	J/mol×K	919.22	Calculated Property
Cp,gas	475.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020100; 0.0013395]	Pa×s	[425.92; 635.43]	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			-7.44047e+00
Coefficient B			5.24240e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			425.92
Temperature range, max.			635.43
η	0.0020100	Pa×s	425.92	Calculated Property
η	0.0018858	Pa×s	449.20	Calculated Property
η	0.0017804	Pa×s	472.48	Calculated Property
η	0.0016900	Pa×s	495.76	Calculated Property
η	0.0016117	Pa×s	519.04	Calculated Property
η	0.0015434	Pa×s	542.31	Calculated Property
η	0.0014832	Pa×s	565.59	Calculated Property
η	0.0014298	Pa×s	588.87	Calculated Property
η	0.0013822	Pa×s	612.15	Calculated Property
η	0.0013395	Pa×s	635.43	Calculated Property

Similar Compounds

Find more compounds similar to aceanthrylene.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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