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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.64; 454.56]	J/mol×K	[651.36; 907.48]
Cp,gas	387.64	J/mol×K	651.36	Joback Calculated Property
Cp,gas	400.96	J/mol×K	694.05	Joback Calculated Property
Cp,gas	413.12	J/mol×K	736.73	Joback Calculated Property
Cp,gas	424.36	J/mol×K	779.42	Joback Calculated Property
Cp,gas	434.86	J/mol×K	822.10	Joback Calculated Property
Cp,gas	444.86	J/mol×K	864.79	Joback Calculated Property
Cp,gas	454.56	J/mol×K	907.48	Joback Calculated Property
η	[0.0013128; 0.0020100]	Pa×s	[425.92; 651.36]
η	0.0020100	Pa×s	425.92	Joback Calculated Property
η	0.0018191	Pa×s	463.49	Joback Calculated Property
η	0.0016712	Pa×s	501.07	Joback Calculated Property
η	0.0015536	Pa×s	538.64	Joback Calculated Property
η	0.0014580	Pa×s	576.21	Joback Calculated Property
η	0.0013791	Pa×s	613.79	Joback Calculated Property
η	0.0013128	Pa×s	651.36	Joback 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

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.
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