Chemical Properties of Naph[2,1,8,7:4,10,5]anthra[1,9,8-abcd]coronene (CAS 41163-25-1)

InChI

InChI=1S/C38H16/c1-5-19-9-13-23-25-15-11-21-7-3-18-4-8-22-12-16-26-24-14-10-20-6-2-17(1)27-29(19)33(23)37(34(24)30(20)27)38-35(25)31(21)28(18)32(22)36(26)38/h1-16H

InChI Key

BEWSIRCXMVBNRU-UHFFFAOYSA-N

Formula

C38H16

SMILES

c1cc2ccc3c4ccc5ccc6ccc7ccc8c9ccc%10ccc1c1c2c3c(c9c%101)c1c4c5c6c7c81

Molecular Weight¹

472.53

CAS

41163-25-1

Other Names

• Naphth[2',1',8',7':4,10,5]anthra[1,9,8-abcd]coronene

• 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

Property	Value	Unit	Source
ΔfH°gas	723.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.40	kJ/mol	Joback Calculated Property
ΔvapH°	236.89	kJ/mol	Relay (1.0) Calculated Property
IE	[6.81; 6.90]	eV
IE	6.81 ± 0.02	eV	NIST
IE	6.90	eV	NIST
log10WS	-14.93		Relay (1.0) Calculated Property
logPoct/wat	10.999		Crippen Calculated Property
McVol	334.260	ml/mol	McGowan Calculated Property
Pc	1592.35	kPa	Joback Calculated Property
Tboil	1090.14	K	Relay (1.0) Calculated Property
Tc	1588.36	K	Relay (1.0) Calculated Property
Tfus	778.48	K	Relay (1.0) Calculated Property
Vc	1.464	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[1299.83; 1965.60]	J/mol×K	[1308.10; 1604.13]
Cp,gas	1299.83	J/mol×K	1308.10	Joback Calculated Property
Cp,gas	1378.89	J/mol×K	1357.44	Joback Calculated Property
Cp,gas	1469.33	J/mol×K	1406.78	Joback Calculated Property
Cp,gas	1572.18	J/mol×K	1456.11	Joback Calculated Property
Cp,gas	1688.48	J/mol×K	1505.45	Joback Calculated Property
Cp,gas	1819.28	J/mol×K	1554.79	Joback Calculated Property
Cp,gas	1965.60	J/mol×K	1604.13	Joback Calculated Property
η	[7.8038373; 10.7413360]	Pa×s	[1067.02; 1308.10]
η	7.8038373	Pa×s	1067.02	Joback Calculated Property
η	8.3105397	Pa×s	1107.20	Joback Calculated Property
η	8.8112341	Pa×s	1147.38	Joback Calculated Property
η	9.3051842	Pa×s	1187.56	Joback Calculated Property
η	9.7918044	Pa×s	1227.74	Joback Calculated Property
η	10.2706377	Pa×s	1267.92	Joback Calculated Property
η	10.7413360	Pa×s	1308.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naph[2,1,8,7:4,10,5]anthra[1,9,8-abcd]coronene.

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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