Chemical Properties of 3,4:8,9-DIBENZPYRENE

InChI

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

InChI Key

RXUSYFJGDZFVND-UHFFFAOYSA-N

Formula

C24H14

SMILES

c1ccc2c(c1)cc1ccc3c4ccccc4cc4ccc2c1c43

Molecular Weight¹

302.38

Other Names

• Dibenzo[b,def]chrysene
• 1,2,6,7-Dibenzpyrene
• DB(a,h)P
• 1,2,6,7-Dibenzopyrene
• 3,4,8,9-Dibenzpyrene
• Dibenzo[a,h]pyrene
• 3,4:8,9-Dibenzpyrene
• 3,4,8,9-Dibenzopyrene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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
ΔfH°gas	399.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.47	kJ/mol	Joback Calculated Property
ΔvapH°	141.43	kJ/mol	Relay (1.0) Calculated Property
IE	[6.75; 7.39]	eV
IE	6.82	eV	NIST
IE	7.04	eV	NIST
IE	6.75	eV	NIST
IE	7.39	eV	NIST
log10WS	-9.27		Relay (1.0) 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	[546.34; 3541.00]
Inp	3537.00		NIST
Inp	3537.00		NIST
Inp	3541.00		NIST
Inp	3537.00		NIST
Inp	560.15		NIST
Inp	563.59		NIST
Inp	546.34		NIST
Inp	559.90		NIST
Inp	559.90		NIST
Inp	560.15		NIST
Inp	591.30		NIST
Inp	560.15		NIST
Inp	560.54		NIST
Inp	3541.00		NIST
Inp	560.15		NIST
Inp	559.90		NIST
Inp	560.54		NIST
Inp	3537.00		NIST
Tboil	830.28	K	Relay (1.0) Calculated Property
Tc	1170.81	K	Relay (1.0) Calculated Property
Tfus	561.77	K	Relay (1.0) Calculated Property
Vc	0.907	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

Similar Compounds

Find more compounds similar to 3,4:8,9-DIBENZPYRENE.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.