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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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
ΔfG°	1423.78	kJ/mol	Joback Calculated Property
ΔfH°gas	1123.19	kJ/mol	Joback Calculated Property
ΔfusH°	69.40	kJ/mol	Joback Calculated Property
ΔvapH°	123.30	kJ/mol	Joback Calculated Property
IE	[6.81; 6.90]	eV
IE	6.81 ± 0.02	eV	NIST
IE	6.90	eV	NIST
log10WS	-17.81		Crippen 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	1307.90	K	Joback Calculated Property
Tc	1603.88	K	Joback Calculated Property
Tfus	1067.02	K	Joback Calculated Property
Vc	1.377	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1299.53; 1964.83]	J/mol×K	[1307.90; 1603.88]
Cp,gas	1299.53	J/mol×K	1307.90	Joback Calculated Property
Cp,gas	1378.54	J/mol×K	1357.23	Joback Calculated Property
Cp,gas	1468.91	J/mol×K	1406.56	Joback Calculated Property
Cp,gas	1571.69	J/mol×K	1455.89	Joback Calculated Property
Cp,gas	1687.91	J/mol×K	1505.22	Joback Calculated Property
Cp,gas	1818.61	J/mol×K	1554.55	Joback Calculated Property
Cp,gas	1964.83	J/mol×K	1603.88	Joback Calculated Property
η	[7.8038373; 10.7390136]	Pa×s	[1067.02; 1307.90]
η	7.8038373	Pa×s	1067.02	Joback Calculated Property
η	8.3101217	Pa×s	1107.17	Joback Calculated Property
η	8.8104088	Pa×s	1147.31	Joback Calculated Property
η	9.3039638	Pa×s	1187.46	Joback Calculated Property
η	9.7902023	Pa×s	1227.61	Joback Calculated Property
η	10.2686681	Pa×s	1267.75	Joback Calculated Property
η	10.7390136	Pa×s	1307.90	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

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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