Chemical Properties of Tribenzo[de,h,kl]naphtho[1,2,3,4-rst]tetraphene (CAS 187-96-2)

InChI

InChI=1S/C38H20/c1-2-14-24-23(13-1)33-27-17-5-9-21-10-7-19-29(31(21)27)35-25-15-3-4-16-26(25)36-30-20-8-12-22-11-6-18-28(32(22)30)34(24)38(36)37(33)35/h1-20H

InChI Key

SZPCSERRBCRIJE-UHFFFAOYSA-N

Formula

C38H20

SMILES

c1ccc2c(c1)c1c3cccc4cccc(c43)c3c4ccccc4c4c5cccc6cccc(c65)c2c4c13

Molecular Weight¹

476.57

CAS

187-96-2

• 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_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
ω	0.9340		Relay (1.0) Calculated Property
ΔfG°	1252.78	kJ/mol	Joback Calculated Property
ΔfH°gas	689.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.23	kJ/mol	Joback Calculated Property
ΔvapH°	225.53	kJ/mol	Relay (1.0) Calculated Property
IE	[6.06; 6.06]	eV
IE	6.06 ± 0.02	eV	NIST
IE	6.06 ± 0.02	eV	NIST
log10WS	-14.29		Relay (1.0) Calculated Property
logPoct/wat	10.941		Crippen Calculated Property
McVol	355.980	ml/mol	McGowan Calculated Property
Pc	1454.57	kPa	Joback Calculated Property
Tboil	1064.51	K	Relay (1.0) Calculated Property
Tc	1520.26	K	Relay (1.0) Calculated Property
Tfus	640.61	K	Relay (1.0) Calculated Property
Vc	1.413	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1289.31; 1737.61]	J/mol×K	[1290.78; 1587.53]
Cp,gas	1289.31	J/mol×K	1290.78	Joback Calculated Property
Cp,gas	1343.28	J/mol×K	1340.24	Joback Calculated Property
Cp,gas	1404.48	J/mol×K	1389.70	Joback Calculated Property
Cp,gas	1473.71	J/mol×K	1439.16	Joback Calculated Property
Cp,gas	1551.77	J/mol×K	1488.62	Joback Calculated Property
Cp,gas	1639.46	J/mol×K	1538.07	Joback Calculated Property
Cp,gas	1737.61	J/mol×K	1587.53	Joback Calculated Property
η	[0.0799604; 0.0838487]	Pa×s	[951.46; 1290.78]
η	0.0838487	Pa×s	951.46	Joback Calculated Property
η	0.0830033	Pa×s	1008.01	Joback Calculated Property
η	0.0822549	Pa×s	1064.57	Joback Calculated Property
η	0.0815878	Pa×s	1121.12	Joback Calculated Property
η	0.0809894	Pa×s	1177.67	Joback Calculated Property
η	0.0804497	Pa×s	1234.23	Joback Calculated Property
η	0.0799604	Pa×s	1290.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Tribenzo[de,h,kl]naphtho[1,2,3,4-rst]tetraphene.

Sources

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

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