Chemical Properties of Benzo[b]triphenylene (CAS 215-58-7)

InChI

InChI=1S/C22H14/c1-2-8-16-14-22-20-12-6-4-10-18(20)17-9-3-5-11-19(17)21(22)13-15(16)7-1/h1-14H

InChI Key

RAASUWZPTOJQAY-UHFFFAOYSA-N

Formula

C22H14

SMILES

c1ccc2cc3c4ccccc4c4ccccc4c3cc2c1

Molecular Weight¹

278.35

CAS

215-58-7

Other Names

• 1,2,3,4-Dibenzanthracene
• 1,2:3,4-dibenzanthracene
• 1,2:3,4-dibenzoanthracene
• 2,3-Benztriphenylene
• 2,3-benzotriphenylene
• Db(a,c)A
• dibenz[a,c]anthracene
• dibenzo[a,c]anthracene
• naphtho-2',3':9,10-phenanthrene

• 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_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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°	644.48	kJ/mol	Joback Calculated Property
ΔfH°gas	331.00 ± 11.00	kJ/mol	NIST
ΔfH°solid	184.80 ± 8.70	kJ/mol	NIST
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔsubH°	[145.90; 159.00]	kJ/mol
ΔsubH°	145.90 ± 6.00	kJ/mol	NIST
ΔsubH°	159.00 ± 6.00	kJ/mol	NIST
ΔsubH°	159.00 ± 6.00	kJ/mol	NIST
ΔvapH°	132.30 ± 1.80	kJ/mol	NIST
IE	[7.35; 7.61]	eV
IE	7.39	eV	NIST
IE	7.44	eV	NIST
IE	7.44 ± 0.04	eV	NIST
IE	7.35 ± 0.01	eV	NIST
IE	7.60	eV	NIST
IE	7.61	eV	NIST
IE	7.43	eV	NIST
IE	7.39 ± 0.02	eV	NIST
IE	7.39	eV	NIST
log10WS	-8.69		Crippen Calculated Property
logPoct/wat	6.299		Crippen Calculated Property
McVol	219.240	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
Inp	[483.27; 3151.00]
Inp	3089.00		NIST
Inp	3142.00		NIST
Inp	3142.00		NIST
Inp	3089.00		NIST
Inp	3103.00		NIST
Inp	3114.00		NIST
Inp	3080.00		NIST
Inp	3151.00		NIST
Inp	3099.00		NIST
Inp	3142.00		NIST
Inp	496.60		NIST
Inp	495.90		NIST
Inp	495.01		NIST
Inp	495.10		NIST
Inp	495.92		NIST
Inp	495.10		NIST
Inp	490.13		NIST
Inp	496.20		NIST
Inp	497.09		NIST
Inp	495.01		NIST
Inp	483.27		NIST
Inp	483.27		NIST
Inp	495.56		NIST
Inp	495.00		NIST
Inp	495.10		NIST
Inp	493.39		NIST
Inp	495.05		NIST
Inp	495.00		NIST
Inp	495.01		NIST
Inp	498.34		NIST
Inp	500.25		NIST
Tboil	791.20	K	NIST
Tc	1089.89	K	Joback Calculated Property
Tfus	[477.00; 478.20]	K
Tfus	478.20 ± 4.00	K	NIST
Tfus	477.00 ± 4.00	K	NIST
Tfus	478.00 ± 4.00	K	NIST
Vc	0.848	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[607.64; 691.04]	J/mol×K	[820.30; 1089.89]
Cp,gas	607.64	J/mol×K	820.30	Joback Calculated Property
Cp,gas	622.45	J/mol×K	865.23	Joback Calculated Property
Cp,gas	636.52	J/mol×K	910.16	Joback Calculated Property
Cp,gas	650.13	J/mol×K	955.09	Joback Calculated Property
Cp,gas	663.56	J/mol×K	1000.03	Joback Calculated Property
Cp,gas	677.10	J/mol×K	1044.96	Joback Calculated Property
Cp,gas	691.04	J/mol×K	1089.89	Joback Calculated Property
η	[0.0011148; 0.0022584]	Pa×s	[532.48; 820.30]
η	0.0022584	Pa×s	532.48	Joback Calculated Property
η	0.0019125	Pa×s	580.45	Joback Calculated Property
η	0.0016611	Pa×s	628.42	Joback Calculated Property
η	0.0014719	Pa×s	676.39	Joback Calculated Property
η	0.0013254	Pa×s	724.36	Joback Calculated Property
η	0.0012090	Pa×s	772.33	Joback Calculated Property
η	0.0011148	Pa×s	820.30	Joback Calculated Property
ΔfusH	[25.82; 25.82]	kJ/mol	[553.50; 553.50]
ΔfusH	25.82	kJ/mol	553.50	NIST
ΔfusH	25.82	kJ/mol	553.50	NIST
ΔsubH	135.00	kJ/mol	383.00	NIST
ΔvapH	97.50	kJ/mol	398.00	NIST
Pvap	[2.81e-10; 0.09]	kPa	[298.15; 510.00]
Pvap	2.81e-10	kPa	298.15	Hypothe...
Pvap	3.93e-10	kPa	300.00	Hypothe...
Pvap	2.21e-09	kPa	310.00	Hypothe...
Pvap	1.09e-08	kPa	320.00	Hypothe...
Pvap	4.79e-08	kPa	330.00	Hypothe...
Pvap	1.88e-07	kPa	340.00	Hypothe...
Pvap	6.70e-07	kPa	350.00	Hypothe...
Pvap	2.17e-06	kPa	360.00	Hypothe...
Pvap	6.50e-06	kPa	370.00	Hypothe...
Pvap	1.80e-05	kPa	380.00	Hypothe...
Pvap	4.65e-05	kPa	390.00	Hypothe...
Pvap	1.13e-04	kPa	400.00	Hypothe...
Pvap	2.58e-04	kPa	410.00	Hypothe...
Pvap	5.59e-04	kPa	420.00	Hypothe...
Pvap	1.15e-03	kPa	430.00	Hypothe...
Pvap	2.27e-03	kPa	440.00	Hypothe...
Pvap	4.29e-03	kPa	450.00	Hypothe...
Pvap	7.79e-03	kPa	460.00	Hypothe...
Pvap	0.01	kPa	470.00	Hypothe...
Pvap	0.02	kPa	480.00	Hypothe...
Pvap	0.04	kPa	490.00	Hypothe...
Pvap	0.06	kPa	500.00	Hypothe...
Pvap	0.09	kPa	510.00	Hypothe...

Similar Compounds

Find more compounds similar to Benzo[b]triphenylene.

Sources

• Crippen Method
• Crippen Method
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• McGowan Method
• NIST Webbook

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