Chemical Properties of Diacenaphtho[1,2-j:1',2'-l]fluoranthene (CAS 191-48-0)

InChI

InChI=1S/C36H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-32(23)34-26-17-5-11-21-12-6-18-27(30(21)26)36(34)35-25-16-4-10-20-9-3-15-24(29(20)25)33(31)35/h1-18H

InChI Key

CUIWZLHUNCCYBL-UHFFFAOYSA-N

Formula

C36H18

SMILES

c1cc2cccc3c2c(c1)c1c2c4cccc5cccc(c54)c2c2c4cccc5cccc(c54)c2c31

Molecular Weight¹

450.53

CAS

191-48-0

Other Names

• Decacyclene
• Diacenaphtheno[1,2-j:1',2'-l]fluoranthen
• tri-Perinaphthylene benzene
• benzo[a,a',a']triacenaphthylene

• ω : Acentric Factor.
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
ω	0.9347		Relay (1.0) Calculated Property
ΔfG°	1230.18	kJ/mol	Joback Calculated Property
ΔfH°gas	661.65	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	62.03	kJ/mol	Joback Calculated Property
ΔvapH°	218.41	kJ/mol	Relay (1.0) Calculated Property
IE	7.30 ± 0.10	eV	NIST
log10WS	-13.97		Relay (1.0) Calculated Property
logPoct/wat	10.379		Crippen Calculated Property
McVol	332.100	ml/mol	McGowan Calculated Property
Pc	1579.71	kPa	Joback Calculated Property
Tboil	1035.70	K	Relay (1.0) Calculated Property
Tc	1488.22	K	Relay (1.0) Calculated Property
Tfus	[562.00; 666.00]	K
Tfus	666.00 ± 1.00	K	NIST
Tfus	562.00 ± 0.30	K	NIST
Vc	1.357	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[25.40; 45.20]	kJ/mol	[562.00; 666.00]
ΔfusH	45.20	kJ/mol	562.00	NIST
ΔfusH	25.40	kJ/mol	666.00	NIST
ΔfusH	25.40	kJ/mol	666.00	NIST
ΔfusS	80.40	J/mol×K	562.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[412.12; 999.93]	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			-2.24950e+02
Coefficient B			3.06120e+00
Coefficient C			-2.97652e-03
Coefficient D			1.14020e-06
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.12	J/mol×K	273.00	Calculated Property
Cp,gas	535.98	J/mol×K	353.78	Calculated Property
Cp,gas	636.80	J/mol×K	434.56	Calculated Property
Cp,gas	718.16	J/mol×K	515.33	Calculated Property
Cp,gas	783.69	J/mol×K	596.11	Calculated Property
Cp,gas	836.98	J/mol×K	676.89	Calculated Property
Cp,gas	881.65	J/mol×K	757.67	Calculated Property
Cp,gas	921.29	J/mol×K	838.44	Calculated Property
Cp,gas	959.51	J/mol×K	919.22	Calculated Property
Cp,gas	999.93	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1529849; 0.1946119]	Pa×s	[614.00; 1068.41]	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			-1.31155e+00
Coefficient B			-3.47440e+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.			614.00
Temperature range, max.			1068.41
η	0.1529849	Pa×s	614.00	Calculated Property
η	0.1597060	Pa×s	664.49	Calculated Property
η	0.1657131	Pa×s	714.98	Calculated Property
η	0.1711106	Pa×s	765.47	Calculated Property
η	0.1759845	Pa×s	815.96	Calculated Property
η	0.1804058	Pa×s	866.45	Calculated Property
η	0.1844335	Pa×s	916.94	Calculated Property
η	0.1881170	Pa×s	967.43	Calculated Property
η	0.1914980	Pa×s	1017.92	Calculated Property
η	0.1946119	Pa×s	1068.41	Calculated Property

Similar Compounds

Find more compounds similar to Diacenaphtho[1,2-j:1',2'-l]fluoranthene.

Sources

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

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