Chemical Properties of 1,2,9,10-Dibenzopyrene (CAS 191-30-0)

InChI

InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H

InChI Key

JNTHRSHGARDABO-UHFFFAOYSA-N

Formula

C24H14

SMILES

c1ccc2c(c1)cc1ccc3cccc4c5ccccc5c2c1c34

Molecular Weight¹

302.37

CAS

191-30-0

Other Names

• Dibenzo[def,p]chrysene
• 1,2:3,4-Dibenzopyrene
• Ba 51-090462
• Dibenzo[a,l]pyrene
• 1,2:9,10-Dibenzopyrene
• 4,5:6,7-Dibenzpyrene
• Db(a,l)p
• Dibenzo(a,d)pyrene
• 4,5,6,7-Dibenzpyrene
• 2,3:4,5-Dibenzopyrene
• Dibenz[a,l]pyrene
• NSC 90324
• Dibenzo(a,1)pyrene
• 1,2,4,5-Dibenzpyrene
• 1,2,3,4-Dibenzpyrene
• 1,2:9,1o-Dibenzopyrene

• 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).
• 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°	752.58	kJ/mol	Joback Calculated Property
ΔfH°gas	561.85	kJ/mol	Joback Calculated Property
ΔfusH°	38.47	kJ/mol	Joback Calculated Property
ΔvapH°	81.51	kJ/mol	Joback Calculated Property
IE	[7.03; 7.27]	eV
IE	7.27	eV	NIST
IE	7.03	eV	NIST
log10WS	-9.91		Crippen Calculated Property
logPoct/wat	6.890		Crippen Calculated Property
McVol	232.260	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[538.21; 3423.00]
Inp	538.21		NIST
Inp	553.00		NIST
Inp	3423.00		NIST
Inp	3423.00		NIST
Inp	553.00		NIST
Inp	541.90		NIST
Inp	540.01		NIST
Inp	538.21		NIST
Tboil	882.32	K	Joback Calculated Property
Tc	1151.38	K	Joback Calculated Property
Tfus	501.20 ± 0.40	K	NIST
Vc	0.911	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.66; 757.84]	J/mol×K	[882.32; 1151.38]
Cp,gas	661.66	J/mol×K	882.32	Joback Calculated Property
Cp,gas	676.44	J/mol×K	927.16	Joback Calculated Property
Cp,gas	691.24	J/mol×K	972.01	Joback Calculated Property
Cp,gas	706.42	J/mol×K	1016.85	Joback Calculated Property
Cp,gas	722.35	J/mol×K	1061.69	Joback Calculated Property
Cp,gas	739.36	J/mol×K	1106.54	Joback Calculated Property
Cp,gas	757.84	J/mol×K	1151.38	Joback Calculated Property
η	[0.0039222; 0.0052883]	Pa×s	[606.52; 882.32]
η	0.0052883	Pa×s	606.52	Joback Calculated Property
η	0.0049439	Pa×s	652.49	Joback Calculated Property
η	0.0046630	Pa×s	698.45	Joback Calculated Property
η	0.0044300	Pa×s	744.42	Joback Calculated Property
η	0.0042338	Pa×s	790.39	Joback Calculated Property
η	0.0040664	Pa×s	836.35	Joback Calculated Property
η	0.0039222	Pa×s	882.32	Joback Calculated Property
ΔfusH	[24.68; 24.68]	kJ/mol	[501.20; 501.20]
ΔfusH	24.68	kJ/mol	501.20	NIST
ΔfusH	24.68	kJ/mol	501.20	NIST

Similar Compounds

Find more compounds similar to 1,2,9,10-Dibenzopyrene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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