Chemical Properties of Benzo[ghi]perylene (CAS 191-24-2)

InChI

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

InChI Key

GYFAGKUZYNFMBN-UHFFFAOYSA-N

Formula

C22H12

SMILES

c1cc2ccc3ccc4ccc5cccc6c(c1)c2c3c4c56

Molecular Weight¹

276.33

CAS

191-24-2

Other Names

• 1,12-Benzperylene
• 1,12-benzoperylene
• 191-24-2
• Benzo-1,12-perylene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• 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_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
PAff	[876.00; 877.80]	kJ/mol
PAff	876.00	kJ/mol	NIST
PAff	877.80	kJ/mol	NIST
BasG	[845.20; 850.60]	kJ/mol
BasG	845.20	kJ/mol	NIST
BasG	850.60	kJ/mol	NIST
EA	0.42 ± 0.10	eV	NIST
ΔfH°gas	392.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.30	kJ/mol	Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
ΔsubH°	126.00	kJ/mol	NIST
ΔvapH°	128.90 ± 1.50	kJ/mol	NIST
IE	[7.13; 7.35]	eV
IE	7.17 ± 0.02	eV	NIST
IE	7.20 ± 0.05	eV	NIST
IE	7.15	eV	NIST
IE	7.19 ± 0.01	eV	NIST
IE	Outlier 7.35	eV	NIST
IE	7.13	eV	NIST
IE	7.15	eV	NIST
IE	7.15	eV	NIST
log10WS	[-9.03; -9.02]
log10WS	-9.03		Aq. Solubility Prediction
log10WS	-9.02		Estimated Solubility
logPoct/wat	6.328		Crippen Calculated Property
McVol	208.380	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[498.90; 3185.00]
Inp	3160.00		NIST
Inp	3115.00		NIST
Inp	3122.00		NIST
Inp	3124.00		NIST
Inp	3137.00		NIST
Inp	3150.10		NIST
Inp	3168.40		NIST
Inp	3185.00		NIST
Inp	3185.00		NIST
Inp	3124.00		NIST
Inp	3146.00		NIST
Inp	3150.00		NIST
Inp	3144.00		NIST
Inp	3124.00		NIST
Inp	3131.80		NIST
Inp	3160.00		NIST
Inp	3149.00		NIST
Inp	3144.00		NIST
Inp	3185.00		NIST
Inp	501.32		NIST
Inp	502.90		NIST
Inp	501.32		NIST
Inp	501.38		NIST
Inp	502.60		NIST
Inp	500.00		NIST
Inp	501.32		NIST
Inp	500.00		NIST
Inp	501.92		NIST
Inp	500.29		NIST
Inp	500.00		NIST
Inp	502.84		NIST
Inp	501.35		NIST
Inp	500.00		NIST
Inp	501.38		NIST
Inp	500.00		NIST
Inp	501.59		NIST
Inp	500.29		NIST
Inp	501.32		NIST
Inp	498.90		NIST
Inp	501.64		NIST
Inp	501.32		NIST
Inp	501.38		NIST
Inp	501.64		NIST
Inp	501.30		NIST
Inp	500.00		NIST
Inp	499.61		NIST
Inp	500.29		NIST
Inp	501.30		NIST
Inp	502.90		NIST
Inp	502.90		NIST
Inp	500.20		NIST
Inp	500.29		NIST
Inp	500.29		NIST
Inp	501.88		NIST
Inp	501.32		NIST
Inp	500.29		NIST
Inp	501.90		NIST
Inp	501.32		NIST
Inp	499.69		NIST
Inp	500.00		NIST
Inp	502.80		NIST
Inp	501.32		NIST
Inp	526.92		NIST
Inp	501.01		NIST
Inp	501.32		NIST
Inp	3144.00		NIST
Inp	3115.00		NIST
Inp	3168.40		NIST
Inp	3146.00		NIST
Tboil	792.27	K	Relay (1.0) Calculated Property
Tc	1140.07	K	Relay (1.0) Calculated Property
Tfus	[553.00; 554.20]	K
Tfus	553.00 ± 0.20	K	NIST
Tfus	554.20 ± 0.40	K	NIST
Vc	0.846	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	[573.06; 658.14]	J/mol×K	[828.86; 1092.51]
Cp,gas	573.06	J/mol×K	828.86	Joback Calculated Property
Cp,gas	586.21	J/mol×K	872.80	Joback Calculated Property
Cp,gas	599.31	J/mol×K	916.74	Joback Calculated Property
Cp,gas	612.69	J/mol×K	960.68	Joback Calculated Property
Cp,gas	626.73	J/mol×K	1004.62	Joback Calculated Property
Cp,gas	641.76	J/mol×K	1048.57	Joback Calculated Property
Cp,gas	658.14	J/mol×K	1092.51	Joback Calculated Property
η	[0.0081374; 0.0083814]	Pa×s	[590.26; 828.86]
η	0.0083814	Pa×s	590.26	Joback Calculated Property
η	0.0083273	Pa×s	630.03	Joback Calculated Property
η	0.0082799	Pa×s	669.79	Joback Calculated Property
η	0.0082380	Pa×s	709.56	Joback Calculated Property
η	0.0082008	Pa×s	749.33	Joback Calculated Property
η	0.0081674	Pa×s	789.09	Joback Calculated Property
η	0.0081374	Pa×s	828.86	Joback Calculated Property
ΔfusH	[17.37; 17.37]	kJ/mol	[554.20; 554.20]
ΔfusH	17.37	kJ/mol	554.20	NIST
ΔfusH	17.37	kJ/mol	554.20	NIST
ΔsubH	[125.50; 135.10]	kJ/mol	[383.00; 480.00]
ΔsubH	129.90	kJ/mol	383.00	NIST
ΔsubH	127.80	kJ/mol	428.50	NIST
ΔsubH	125.50	kJ/mol	478.00	NIST
ΔsubH	135.10	kJ/mol	480.00	NIST
ΔvapH	96.10	kJ/mol	398.00	NIST
Pvap	[4.31e-10; 0.08]	kPa	[298.15; 510.00]
Pvap	4.31e-10	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.96e-10	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.18e-09	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.50e-08	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.26e-08	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.36e-07	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	8.09e-07	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.54e-06	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.35e-06	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.98e-05	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.98e-05	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.18e-04	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.63e-04	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.59e-04	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.13e-03	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.19e-03	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.07e-03	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	7.27e-03	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.03	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.05	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.08	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Similar Compounds

Find more compounds similar to Benzo[ghi]perylene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
• Ionic Liquids/Water Distribution Ratios of Some Polycyclic Aromatic Hydrocarbons
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook

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