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°	219.34	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	1487.96	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	1.359	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1165.67; 1566.95]	J/mol×K	[1237.32; 1526.05]
Cp,gas	1165.67	J/mol×K	1237.32	Joback Calculated Property
Cp,gas	1213.56	J/mol×K	1285.44	Joback Calculated Property
Cp,gas	1268.03	J/mol×K	1333.56	Joback Calculated Property
Cp,gas	1329.84	J/mol×K	1381.68	Joback Calculated Property
Cp,gas	1399.76	J/mol×K	1429.81	Joback Calculated Property
Cp,gas	1478.54	J/mol×K	1477.93	Joback Calculated Property
Cp,gas	1566.95	J/mol×K	1526.05	Joback Calculated Property
η	[0.1858032; 0.2034462]	Pa×s	[935.20; 1237.32]
η	0.1858032	Pa×s	935.20	Joback Calculated Property
η	0.1893636	Pa×s	985.55	Joback Calculated Property
η	0.1926365	Pa×s	1035.91	Joback Calculated Property
η	0.1956549	Pa×s	1086.26	Joback Calculated Property
η	0.1984470	Pa×s	1136.61	Joback Calculated Property
η	0.2010371	Pa×s	1186.97	Joback Calculated Property
η	0.2034462	Pa×s	1237.32	Joback Calculated Property
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

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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