Chemical Properties of Pentacene (CAS 135-48-8)

InChI

InChI=1S/C22H14/c1-2-6-16-10-20-14-22-12-18-8-4-3-7-17(18)11-21(22)13-19(20)9-15(16)5-1/h1-14H

InChI Key

SLIUAWYAILUBJU-UHFFFAOYSA-N

Formula

C22H14

SMILES

c1ccc2cc3cc4cc5ccccc5cc4cc3cc2c1

Molecular Weight¹

278.35

CAS

135-48-8

Other Names

• 2,3,6,7-Dibenzanthracene
• 2,3:6,7-dibenzanthracene
• benzo[b]naphthacene
• lin-dibenzanthracene
• lin-naphthoanthracene

• ω : Acentric Factor.
• BasG : Gas basicity (kJ/mol).
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (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).
• 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).
• ρ_c : Critical density (kg/m³).
• 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
ω	0.6106		Relay (1.0) Calculated Property
BasG	836.00	kJ/mol	NIST
EA	1.39 ± 0.04	eV	NIST
ΔfG°	644.48	kJ/mol	Joback Calculated Property
ΔfH°gas	361.21	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.69	kJ/mol	Joback Calculated Property
ΔsubH°	[158.00; 184.00]	kJ/mol
ΔsubH°	184.00 ± 10.00	kJ/mol	NIST
ΔsubH°	184.00 ± 10.00	kJ/mol	NIST
ΔsubH°	158.00	kJ/mol	NIST
ΔvapH°	135.31	kJ/mol	Relay (1.0) Calculated Property
IE	[6.23; 6.74]	eV
IE	6.63 ± 0.05	eV	NIST
IE	6.61	eV	NIST
IE	6.64	eV	NIST
IE	6.74 ± 0.01	eV	NIST
IE	6.60 ± 0.10	eV	NIST
IE	6.61	eV	NIST
IE	6.62	eV	NIST
IE	Outlier 6.23	eV	NIST
IE	6.61 ± 0.02	eV	NIST
log10WS	-9.52		Relay (1.0) Calculated Property
logPoct/wat	6.299		Crippen Calculated Property
McVol	219.240	ml/mol	McGowan Calculated Property
Pc	2347.36	kPa	Joback Calculated Property
ρc	345.43 ± 10.02	kg/m3	NIST
Inp	[483.80; 486.81]
Inp	486.81		NIST
Inp	486.81		NIST
Inp	486.81		NIST
Inp	483.80		NIST
Inp	486.80		NIST
Inp	486.81		NIST
Inp	483.80		NIST
Tboil	797.52	K	Relay (1.0) Calculated Property
Tc	1101.02	K	Relay (1.0) Calculated Property
Tfus	[544.00; 544.00]	K
Tfus	544.00 ± 2.00	K	NIST
Tfus	544.00 ± 3.00	K	NIST
Vc	0.837	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[607.64; 691.04]	J/mol×K	[820.30; 1089.89]
Cp,gas	607.64	J/mol×K	820.30	Joback Calculated Property
Cp,gas	622.45	J/mol×K	865.23	Joback Calculated Property
Cp,gas	636.52	J/mol×K	910.16	Joback Calculated Property
Cp,gas	650.13	J/mol×K	955.09	Joback Calculated Property
Cp,gas	663.56	J/mol×K	1000.03	Joback Calculated Property
Cp,gas	677.10	J/mol×K	1044.96	Joback Calculated Property
Cp,gas	691.04	J/mol×K	1089.89	Joback Calculated Property
Cp,solid	[264.50; 367.20]	J/mol×K	[258.10; 350.00]
Cp,solid	264.50	J/mol×K	258.10	Heat Capacities of Tetracene and Pentacene
Cp,solid	265.50	J/mol×K	258.10	Heat Capacities of Tetracene and Pentacene
Cp,solid	267.20	J/mol×K	258.10	Heat Capacities of Tetracene and Pentacene
Cp,solid	275.70	J/mol×K	268.30	Heat Capacities of Tetracene and Pentacene
Cp,solid	277.20	J/mol×K	268.30	Heat Capacities of Tetracene and Pentacene
Cp,solid	277.10	J/mol×K	268.30	Heat Capacities of Tetracene and Pentacene
Cp,solid	288.90	J/mol×K	278.50	Heat Capacities of Tetracene and Pentacene
Cp,solid	287.10	J/mol×K	278.50	Heat Capacities of Tetracene and Pentacene
Cp,solid	287.50	J/mol×K	278.50	Heat Capacities of Tetracene and Pentacene
Cp,solid	299.70	J/mol×K	288.70	Heat Capacities of Tetracene and Pentacene
Cp,solid	299.70	J/mol×K	288.70	Heat Capacities of Tetracene and Pentacene
Cp,solid	299.20	J/mol×K	288.70	Heat Capacities of Tetracene and Pentacene
Cp,solid	311.60	J/mol×K	298.90	Heat Capacities of Tetracene and Pentacene
Cp,solid	311.50	J/mol×K	298.90	Heat Capacities of Tetracene and Pentacene
Cp,solid	311.00	J/mol×K	298.90	Heat Capacities of Tetracene and Pentacene
Cp,solid	322.10	J/mol×K	309.10	Heat Capacities of Tetracene and Pentacene
Cp,solid	322.40	J/mol×K	309.10	Heat Capacities of Tetracene and Pentacene
Cp,solid	322.30	J/mol×K	309.10	Heat Capacities of Tetracene and Pentacene
Cp,solid	332.50	J/mol×K	319.40	Heat Capacities of Tetracene and Pentacene
Cp,solid	333.20	J/mol×K	319.40	Heat Capacities of Tetracene and Pentacene
Cp,solid	332.10	J/mol×K	319.40	Heat Capacities of Tetracene and Pentacene
Cp,solid	345.70	J/mol×K	329.60	Heat Capacities of Tetracene and Pentacene
Cp,solid	346.50	J/mol×K	329.60	Heat Capacities of Tetracene and Pentacene
Cp,solid	344.50	J/mol×K	329.60	Heat Capacities of Tetracene and Pentacene
Cp,solid	356.20	J/mol×K	339.80	Heat Capacities of Tetracene and Pentacene
Cp,solid	354.90	J/mol×K	339.80	Heat Capacities of Tetracene and Pentacene
Cp,solid	355.10	J/mol×K	339.80	Heat Capacities of Tetracene and Pentacene
Cp,solid	365.50	J/mol×K	350.00	Heat Capacities of Tetracene and Pentacene
Cp,solid	367.20	J/mol×K	350.00	Heat Capacities of Tetracene and Pentacene
Cp,solid	366.00	J/mol×K	350.00	Heat Capacities of Tetracene and Pentacene
η	[0.0011148; 0.0022584]	Pa×s	[532.48; 820.30]
η	0.0022584	Pa×s	532.48	Joback Calculated Property
η	0.0019125	Pa×s	580.45	Joback Calculated Property
η	0.0016611	Pa×s	628.42	Joback Calculated Property
η	0.0014719	Pa×s	676.39	Joback Calculated Property
η	0.0013254	Pa×s	724.36	Joback Calculated Property
η	0.0012090	Pa×s	772.33	Joback Calculated Property
η	0.0011148	Pa×s	820.30	Joback Calculated Property
ΔsubH	[154.00; 157.70]	kJ/mol	[463.00; 510.00]
ΔsubH	157.00 ± 14.00	kJ/mol	463.00	NIST
ΔsubH	157.70	kJ/mol	505.00	NIST
ΔsubH	154.00 ± 5.00	kJ/mol	510.00	NIST

Similar Compounds

Find more compounds similar to Pentacene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Heat Capacities of Tetracene and Pentacene
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.