Chemical Properties of Perylene (CAS 198-55-0)

InChI

InChI=1S/C20H12/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17/h1-12H

InChI Key

CSHWQDPOILHKBI-UHFFFAOYSA-N

Formula

C20H12

SMILES

c1cc2cccc3c4cccc5cccc(c(c1)c23)c54

Molecular Weight¹

252.31

CAS

198-55-0

Other Names

• Perilene
• dibenz[de,kl]anthracene
• peri-dinaphthalene
• «alpha»-Perylene

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_p,solid : Solid phase 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_fH°_solid : Solid phase 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_sub : Sublimation pressure (kPa).
• I_np : Non-polar retention indices.
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.5888		Relay (1.0) Calculated Property
PAff	[887.40; 888.60]	kJ/mol
PAff	888.60	kJ/mol	NIST
PAff	887.40	kJ/mol	NIST
BasG	[859.40; 859.60]	kJ/mol
BasG	859.60	kJ/mol	NIST
BasG	859.40	kJ/mol	NIST
ΔcH°solid	[-9767.97; -9754.00]	kJ/mol
ΔcH°solid	-9767.97 ± 0.46	kJ/mol	NIST
ΔcH°solid	-9754.00 ± 61.00	kJ/mol	NIST
EA	[0.35; 0.99]	eV
EA	0.97 ± 0.01	eV	NIST
EA	0.99 ± 0.04	eV	NIST
EA	0.35 ± 0.10	eV	NIST
ΔfG°	621.88	kJ/mol	Joback Calculated Property
ΔfH°gas	318.30 ± 3.70	kJ/mol	NIST
ΔfH°solid	[182.40; 182.70]	kJ/mol
ΔfH°solid	182.40 ± 2.70	kJ/mol	NIST
ΔfH°solid	182.70 ± 0.46	kJ/mol	NIST
ΔfusH°	31.48	kJ/mol	Joback Calculated Property
ΔsubH°	[125.50; 145.20]	kJ/mol
ΔsubH°	135.90 ± 2.60	kJ/mol	NIST
ΔsubH°	145.20 ± 2.50	kJ/mol	NIST
ΔsubH°	125.50 ± 4.20	kJ/mol	NIST
ΔvapH°	[119.50; 123.10]	kJ/mol
ΔvapH°	119.50	kJ/mol	NIST
ΔvapH°	123.10 ± 1.70	kJ/mol	NIST
IE	[6.83; 7.15]	eV
IE	6.96 ± 0.00	eV	NIST
IE	6.96 ± 0.00	eV	NIST
IE	6.90 ± 0.01	eV	NIST
IE	7.00 ± 0.01	eV	NIST
IE	7.10 ± 0.10	eV	NIST
IE	7.10	eV	NIST
IE	6.85	eV	NIST
IE	7.11	eV	NIST
IE	7.06	eV	NIST
IE	7.10	eV	NIST
IE	7.03	eV	NIST
IE	7.15	eV	NIST
IE	6.83	eV	NIST
IE	6.97	eV	NIST
IE	6.97	eV	NIST
log10WS	[-8.80; -8.79]
log10WS	-8.79		Aq. Solubility Prediction
log10WS	-8.80		Estimated Solubility
logPoct/wat	5.737		Crippen Calculated Property
McVol	195.360	ml/mol	McGowan Calculated Property
Pc	2608.40	kPa	Joback Calculated Property
Inp	[451.27; 2852.00]
Inp	2783.00		NIST
Inp	2783.00		NIST
Inp	2797.00		NIST
Inp	2829.00		NIST
Inp	2832.00		NIST
Inp	2849.00		NIST
Inp	2850.00		NIST
Inp	2846.00		NIST
Inp	2837.20		NIST
Inp	2800.00		NIST
Inp	2791.00		NIST
Inp	2795.00		NIST
Inp	2795.00		NIST
Inp	2795.00		NIST
Inp	2795.00		NIST
Inp	2815.00		NIST
Inp	2815.00		NIST
Inp	2815.00		NIST
Inp	2815.00		NIST
Inp	2825.00		NIST
Inp	2828.00		NIST
Inp	2832.00		NIST
Inp	2837.00		NIST
Inp	2847.00		NIST
Inp	2848.00		NIST
Inp	2812.49		NIST
Inp	2815.42		NIST
Inp	2800.00		NIST
Inp	2781.00		NIST
Inp	2852.00		NIST
Inp	2814.00		NIST
Inp	454.90		NIST
Inp	457.50		NIST
Inp	456.80		NIST
Inp	457.70		NIST
Inp	456.22		NIST
Inp	456.30		NIST
Inp	457.93		NIST
Inp	457.63		NIST
Inp	457.02		NIST
Inp	455.95		NIST
Inp	456.17		NIST
Inp	452.00		NIST
Inp	457.17		NIST
Inp	458.36		NIST
Inp	458.21		NIST
Inp	456.59		NIST
Inp	457.63		NIST
Inp	451.27		NIST
Inp	454.60		NIST
Inp	457.17		NIST
Inp	456.22		NIST
Inp	457.98		NIST
Inp	457.17		NIST
Inp	457.63		NIST
Inp	457.98		NIST
Inp	457.50		NIST
Inp	454.11		NIST
Inp	456.20		NIST
Inp	456.30		NIST
Inp	457.50		NIST
Inp	456.30		NIST
Inp	454.50		NIST
Inp	456.22		NIST
Inp	457.17		NIST
Inp	455.59		NIST
Inp	457.45		NIST
Inp	456.22		NIST
Inp	456.25		NIST
Inp	459.60		NIST
Inp	453.62		NIST
Inp	456.22		NIST
Inp	457.98		NIST
Inp	2814.00		NIST
Inp	2837.20		NIST
Inp	2795.00		NIST
Inp	2815.00		NIST
Inp	2847.00		NIST
Inp	454.90		NIST
Inp	2781.00		NIST
Inp	456.22		NIST
Inp	455.95		NIST
Inp	458.21		NIST
Inp	457.17		NIST
S°solid,1 bar	264.60	J/mol×K	NIST
Tboil	756.51	K	Relay (1.0) Calculated Property
Tc	1067.30	K	Relay (1.0) Calculated Property
Tfus	[534.15; 554.00]	K
Tfus	549.57	K	Aq. Solubility Prediction
Tfus	554.00 ± 0.50	K	NIST
Tfus	547.00 ± 2.00	K	NIST
Tfus	545.00 ± 4.00	K	NIST
Tfus	542.00 ± 2.00	K	NIST
Tfus	537.00 ± 8.00	K	NIST
Tfus	540.00 ± 4.00	K	NIST
Tfus	534.15 ± 1.50	K	NIST
Tfus	537.00 ± 8.00	K	NIST
Tfus	534.15 ± 2.00	K	NIST
Tfus	544.00 ± 3.00	K	NIST
Tfus	539.00 ± 8.00	K	NIST
Tfus	546.00 ± 3.00	K	NIST
Tfus	547.00 ± 3.00	K	NIST
Tfus	546.00 ± 3.00	K	NIST
Tfus	547.00 ± 2.00	K	NIST
Tfus	551.00 ± 3.00	K	NIST
Tfus	552.00 ± 3.00	K	NIST
Tfus	540.00 ± 3.00	K	NIST
Tfus	538.00 ± 3.00	K	NIST
Tfus	538.00 ± 2.00	K	NIST
Ttriple	[550.95; 550.95]	K
Ttriple	550.95 ± 0.01	K	NIST
Ttriple	550.95 ± 0.01	K	NIST
Vc	0.765	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.16; 597.00]	J/mol×K	[766.84; 1030.60]
Cp,gas	521.16	J/mol×K	766.84	Joback Calculated Property
Cp,gas	534.69	J/mol×K	810.80	Joback Calculated Property
Cp,gas	547.49	J/mol×K	854.76	Joback Calculated Property
Cp,gas	559.83	J/mol×K	898.72	Joback Calculated Property
Cp,gas	572.01	J/mol×K	942.68	Joback Calculated Property
Cp,gas	584.31	J/mol×K	986.64	Joback Calculated Property
Cp,gas	597.00	J/mol×K	1030.60	Joback Calculated Property
Cp,liquid	[519.30; 526.70]	J/mol×K	[560.00; 580.00]
Cp,liquid	519.30	J/mol×K	560.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	523.00	J/mol×K	570.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	526.70	J/mol×K	580.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,solid	274.90	J/mol×K	298.15	NIST
η	[0.0022895; 0.0032474]	Pa×s	[516.22; 766.84]
η	0.0032474	Pa×s	516.22	Joback Calculated Property
η	0.0029976	Pa×s	557.99	Joback Calculated Property
η	0.0027980	Pa×s	599.76	Joback Calculated Property
η	0.0026352	Pa×s	641.53	Joback Calculated Property
η	0.0025002	Pa×s	683.30	Joback Calculated Property
η	0.0023865	Pa×s	725.07	Joback Calculated Property
η	0.0022895	Pa×s	766.84	Joback Calculated Property
ΔfusH	[31.88; 32.58]	kJ/mol	[551.00; 551.29]
ΔfusH	31.88	kJ/mol	551.00	NIST
ΔfusH	32.58	kJ/mol	551.29	NIST
ΔsubH	[121.30; 139.00]	kJ/mol	[370.00; 418.00]
ΔsubH	121.30	kJ/mol	370.00	NIST
ΔsubH	123.20	kJ/mol	383.00	NIST
ΔsubH	132.60 ± 3.60	kJ/mol	407.50	NIST
ΔsubH	129.60 ± 2.10	kJ/mol	415.00	NIST
ΔsubH	139.00	kJ/mol	418.00	NIST
ΔvapH	[89.90; 119.52]	kJ/mol	[298.00; 398.00]
ΔvapH	119.52	kJ/mol	298.00	Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
ΔvapH	89.90	kJ/mol	398.00	NIST
Psub	[1.37e-05; 6.06e-04]	kPa	[390.00; 432.40]
Psub	1.37e-05	kPa	390.00	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.47e-05	kPa	390.50	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.49e-05	kPa	391.20	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	2.15e-05	kPa	393.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.15e-05	kPa	397.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.03e-05	kPa	398.30	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	4.58e-05	kPa	402.20	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	4.76e-05	kPa	402.80	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	5.19e-05	kPa	403.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	6.67e-05	kPa	405.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	7.20e-05	kPa	406.60	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	7.03e-05	kPa	406.80	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.00e-04	kPa	410.50	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.02e-04	kPa	411.30	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.32e-04	kPa	412.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.42e-04	kPa	413.40	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.48e-04	kPa	414.40	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.96e-04	kPa	418.40	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	4.43e-04	kPa	428.60	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	6.06e-04	kPa	432.40	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method

Similar Compounds

Find more compounds similar to Perylene.

Mixtures

• Perylene + n-Hexane + Decane
• Perylene + Octane + Heptane
• Perylene + Decane + Heptane
• Perylene + Decane + Octane
• Perylene + n-Hexane + Cyclohexane
• Perylene + Heptane + Cyclohexane
• Perylene + Octane + Cyclohexane
• Perylene + Decane + Cyclohexane
• Perylene + n-Hexane + Octane
• Perylene + Ethanol
• Perylene + Acetonitrile
• Perylene + n-Hexane
• Perylene + Acetone
• Perylene + Carbon Tetrachloride
• Perylene + Benzene, chloro-
• Perylene + Trichloromethane
• Perylene + Heptane
• Perylene + n-Hexane + Heptane

Sources

• Cheméo Relay (1.0)
• Crippen Method
• New aspects of relationship between the enthalpies of fusion of aromatic compounds at the melting temperature and the enthalpies of solution in benzene at 298.15 K. Part II
• Solubilities of Organic Semiconductors and Nonsteroidal Anti-inflammatory Drugs in Pure and Mixed Organic Solvents: Measurement and Modeling with Hansen Solubility Parameter
• Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Binary Mixtures at 298.15 K
• Measurement and Correlation of Diffusion Coefficients of Aromatic Compounds at Infinite Dilution in Alkane and Cycloalkane Solvents
• Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
• Enthalpies of Vaporization and Vapor Pressures of Some Deuterated Hydrocarbons. Liquid-Vapor Pressure Isotope Effects
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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