Chemical Properties of Indeno[1,2,3-cd]pyrene (CAS 193-39-5)

InChI

InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H

InChI Key

SXQBHARYMNFBPS-UHFFFAOYSA-N

Formula

C22H12

SMILES

c1ccc2c(c1)-c1ccc3ccc4cccc5cc-2c1c3c45

Molecular Weight¹

276.33

CAS

193-39-5

Other Names

• 1,10-(1,2-Phenylene)pyrene
• 1,10-(o-Phenylene)pyrene
• 1,10-(ortho-Phenylene)pyrene
• 2,3-(o-Phenylene)pyrene
• 2,3-Phenylenepyrene
• IP
• Indenopyrene
• Rcra waste number U137
• o-phenylenepyrene

• 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_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
ΔfH°gas	411.79	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.90	kJ/mol	Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
ΔvapH°	126.21	kJ/mol	Relay (1.0) Calculated Property
IE	7.20	eV	Relay (1.0) Calculated Property
log10WS	-8.55		Relay (1.0) Calculated Property
logPoct/wat	6.231		Crippen Calculated Property
McVol	208.380	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[481.87; 3131.00]
Inp	3131.00		NIST
Inp	3131.00		NIST
Inp	3082.00		NIST
Inp	3081.00		NIST
Inp	3086.00		NIST
Inp	3063.00		NIST
Inp	3108.00		NIST
Inp	3108.00		NIST
Inp	3096.00		NIST
Inp	3086.00		NIST
Inp	3131.00		NIST
Inp	495.90		NIST
Inp	495.30		NIST
Inp	493.65		NIST
Inp	493.82		NIST
Inp	492.36		NIST
Inp	491.41		NIST
Inp	491.35		NIST
Inp	488.90		NIST
Inp	493.88		NIST
Inp	489.49		NIST
Inp	493.24		NIST
Inp	481.87		NIST
Inp	486.60		NIST
Inp	494.91		NIST
Inp	493.24		NIST
Inp	493.88		NIST
Inp	494.91		NIST
Inp	488.60		NIST
Inp	490.26		NIST
Inp	490.69		NIST
Inp	487.14		NIST
Inp	493.30		NIST
Inp	490.69		NIST
Inp	490.80		NIST
Inp	493.59		NIST
Inp	495.80		NIST
Inp	481.87		NIST
Inp	491.28		NIST
Inp	495.71		NIST
Inp	3081.00		NIST
Tboil	785.49	K	Relay (1.0) Calculated Property
Tc	1125.84	K	Relay (1.0) Calculated Property
Tfus	[435.00; 437.70]	K
Tfus	435.00 ± 1.00	K	NIST
Tfus	437.70 ± 0.60	K	NIST
Vc	0.854	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
ΔfusH	[18.60; 21.51]	kJ/mol	[435.20; 437.00]
ΔfusH	21.51	kJ/mol	435.20	NIST
ΔfusH	21.51	kJ/mol	435.20	NIST
ΔfusH	18.60	kJ/mol	437.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[252.66; 625.21]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.46110e+02
Coefficient B			1.90880e+00
Coefficient C			-1.83068e-03
Coefficient D			6.93200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	252.66	J/mol×K	273.00	Calculated Property
Cp,gas	330.75	J/mol×K	353.78	Calculated Property
Cp,gas	394.55	J/mol×K	434.56	Calculated Property
Cp,gas	446.26	J/mol×K	515.33	Calculated Property
Cp,gas	488.06	J/mol×K	596.11	Calculated Property
Cp,gas	522.14	J/mol×K	676.89	Calculated Property
Cp,gas	550.71	J/mol×K	757.67	Calculated Property
Cp,gas	575.95	J/mol×K	838.44	Calculated Property
Cp,gas	600.05	J/mol×K	919.22	Calculated Property
Cp,gas	625.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0086904; 0.0081872]	Pa×s	[436.35; 764.94]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-4.88438e+00
Coefficient B			6.05800e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			436.35
Temperature range, max.			764.94
η	0.0086904	Pa×s	436.35	Calculated Property
η	0.0085977	Pa×s	472.86	Calculated Property
η	0.0085191	Pa×s	509.37	Calculated Property
η	0.0084516	Pa×s	545.88	Calculated Property
η	0.0083930	Pa×s	582.39	Calculated Property
η	0.0083417	Pa×s	618.90	Calculated Property
η	0.0082963	Pa×s	655.41	Calculated Property
η	0.0082559	Pa×s	691.92	Calculated Property
η	0.0082198	Pa×s	728.43	Calculated Property
η	0.0081872	Pa×s	764.94	Calculated Property

Similar Compounds

Find more compounds similar to Indeno[1,2,3-cd]pyrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
• Ionic Liquids/Water Distribution Ratios of Some Polycyclic Aromatic Hydrocarbons
• Joback Method
• McGowan Method
• NIST Webbook

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