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-Benzoperylene
• 1,12-Benzperylene
• 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_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_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
ΔfG°	729.98	kJ/mol	Joback Calculated Property
ΔfH°gas	557.67	kJ/mol	Joback Calculated Property
ΔfusH°	16.30	kJ/mol	Solid v...
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. Sol...
log10WS	-9.02		Estimat...
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	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	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	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	3160.00		NIST
Inp	3146.00		NIST
Tboil	828.86	K	Joback Calculated Property
Tc	1092.51	K	Joback Calculated Property
Tfus	[553.00; 554.20]	K
Tfus	553.00 ± 0.20	K	NIST
Tfus	554.20 ± 0.40	K	NIST
Vc	0.830	m3/kmol	Joback Calculated Property

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	Hypothe...
Pvap	5.96e-10	kPa	300.00	Hypothe...
Pvap	3.18e-09	kPa	310.00	Hypothe...
Pvap	1.50e-08	kPa	320.00	Hypothe...
Pvap	6.26e-08	kPa	330.00	Hypothe...
Pvap	2.36e-07	kPa	340.00	Hypothe...
Pvap	8.09e-07	kPa	350.00	Hypothe...
Pvap	2.54e-06	kPa	360.00	Hypothe...
Pvap	7.35e-06	kPa	370.00	Hypothe...
Pvap	1.98e-05	kPa	380.00	Hypothe...
Pvap	4.98e-05	kPa	390.00	Hypothe...
Pvap	1.18e-04	kPa	400.00	Hypothe...
Pvap	2.63e-04	kPa	410.00	Hypothe...
Pvap	5.59e-04	kPa	420.00	Hypothe...
Pvap	1.13e-03	kPa	430.00	Hypothe...
Pvap	2.19e-03	kPa	440.00	Hypothe...
Pvap	4.07e-03	kPa	450.00	Hypothe...
Pvap	7.27e-03	kPa	460.00	Hypothe...
Pvap	0.01	kPa	470.00	Hypothe...
Pvap	0.02	kPa	480.00	Hypothe...
Pvap	0.03	kPa	490.00	Hypothe...
Pvap	0.05	kPa	500.00	Hypothe...
Pvap	0.08	kPa	510.00	Hypothe...

Similar Compounds

Find more compounds similar to Benzo[ghi]perylene.

Sources

• Crippen Method
• Solid vapor pressure for five heavy PAHs via the Knudsen effusion method
• 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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