Chemical Properties of Dibenzo[g,p]chrysene (CAS 191-68-4)

InChI

InChI=1S/C26H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25(21)26/h1-16H

InChI Key

GQDKQZAEQBGVBS-UHFFFAOYSA-N

Formula

C26H16

SMILES

c1ccc2c(c1)c1ccccc1c1c3ccccc3c3ccccc3c21

Molecular Weight¹

328.41

CAS

191-68-4

Other Names

• 1,2,3,4,5,6,7,8-Tetrabenzonaphthalene
• Dibenzo(a,c)triphenylene
• Tetrabenzonaphthalene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_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).
• 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
ΔcH°solid	-12897.00	kJ/mol	NIST
ΔfG°	775.18	kJ/mol	Joback Calculated Property
ΔfH°gas	503.00	kJ/mol	NIST
ΔfH°solid	379.00 ± 37.00	kJ/mol	NIST
ΔfusH°	40.68	kJ/mol	Joback Calculated Property
ΔsubH°	[150.90; 195.00]	kJ/mol
ΔsubH°	150.90	kJ/mol	NIST
ΔsubH°	195.00	kJ/mol	NIST
ΔvapH°	86.59	kJ/mol	Joback Calculated Property
IE	[7.18; 7.58]	eV
IE	7.20	eV	NIST
IE	7.26	eV	NIST
IE	7.18 ± 0.04	eV	NIST
IE	7.58	eV	NIST
IE	7.42	eV	NIST
IE	7.20 ± 0.02	eV	NIST
log10WS	-10.49		Crippen Calculated Property
logPoct/wat	7.453		Crippen Calculated Property
McVol	256.140	ml/mol	McGowan Calculated Property
Pc	2032.72	kPa	Joback Calculated Property
Inp	[566.87; 567.47]
Inp	567.47		NIST
Inp	566.87		NIST
Tboil	935.78	K	Joback Calculated Property
Tc	1209.93	K	Joback Calculated Property
Tfus	491.00 ± 4.00	K	NIST
Vc	0.994	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[753.48; 858.23]	J/mol×K	[935.78; 1209.93]
Cp,gas	753.48	J/mol×K	935.78	Joback Calculated Property
Cp,gas	769.57	J/mol×K	981.47	Joback Calculated Property
Cp,gas	785.72	J/mol×K	1027.16	Joback Calculated Property
Cp,gas	802.30	J/mol×K	1072.85	Joback Calculated Property
Cp,gas	819.68	J/mol×K	1118.55	Joback Calculated Property
Cp,gas	838.20	J/mol×K	1164.24	Joback Calculated Property
Cp,gas	858.23	J/mol×K	1209.93	Joback Calculated Property
η	[0.0017553; 0.0031676]	Pa×s	[622.78; 935.78]
η	0.0031676	Pa×s	622.78	Joback Calculated Property
η	0.0027637	Pa×s	674.95	Joback Calculated Property
η	0.0024589	Pa×s	727.11	Joback Calculated Property
η	0.0022223	Pa×s	779.28	Joback Calculated Property
η	0.0020341	Pa×s	831.45	Joback Calculated Property
η	0.0018814	Pa×s	883.61	Joback Calculated Property
η	0.0017553	Pa×s	935.78	Joback Calculated Property
ΔsubH	[141.80; 142.20]	kJ/mol	[450.50; 458.50]
ΔsubH	142.20	kJ/mol	450.50	NIST
ΔsubH	141.80	kJ/mol	458.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.71]	kPa	[606.33; 686.63]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			4.28931e+01
Coefficient B			-2.55909e+04
Coefficient C			-5.68200e+00
Temperature range, min.			606.33
Temperature range, max.			686.63
Pvap	1.33	kPa	606.33	Calculated Property
Pvap	2.49	kPa	615.25	Calculated Property
Pvap	4.56	kPa	624.17	Calculated Property
Pvap	8.21	kPa	633.10	Calculated Property
Pvap	14.54	kPa	642.02	Calculated Property
Pvap	25.36	kPa	650.94	Calculated Property
Pvap	43.56	kPa	659.86	Calculated Property
Pvap	73.73	kPa	668.79	Calculated Property
Pvap	123.08	kPa	677.71	Calculated Property
Pvap	202.71	kPa	686.63	Calculated Property

Similar Compounds

Find more compounds similar to Dibenzo[g,p]chrysene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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