Chemical Properties of 6,13-Pentacenedione (CAS 3029-32-1)

InChI

InChI=1S/C22H12O2/c23-21-17-9-13-5-1-2-6-14(13)10-18(17)22(24)20-12-16-8-4-3-7-15(16)11-19(20)21/h1-12H

InChI Key

UFCVADNIXDUEFZ-UHFFFAOYSA-N

Formula

C22H12O2

SMILES

O=C1c2cc3ccccc3cc2C(=O)c2cc3ccccc3cc21

Molecular Weight¹

308.33

CAS

3029-32-1

Other Names

• 6,13-Pentacenequinone

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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).
• 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
ΔcH°solid	-10299.30 ± 6.30	kJ/mol	NIST
ΔfG°	369.34	kJ/mol	Joback Calculated Property
ΔfH°gas	135.81	kJ/mol	Joback Calculated Property
ΔfusH°	31.48	kJ/mol	Joback Calculated Property
ΔsubH°	[116.00; 116.30]	kJ/mol
ΔsubH°	116.00	kJ/mol	NIST
ΔsubH°	116.30 ± 5.90	kJ/mol	NIST
ΔvapH°	83.59	kJ/mol	Joback Calculated Property
IE	8.07 ± 0.05	eV	NIST
log10WS	-7.24		Crippen Calculated Property
logPoct/wat	4.768		Crippen Calculated Property
McVol	226.680	ml/mol	McGowan Calculated Property
Pc	2426.65	kPa	Joback Calculated Property
Tboil	956.78	K	Joback Calculated Property
Tc	1240.19	K	Joback Calculated Property
Tfus	668.16	K	Joback Calculated Property
Vc	0.875	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.70; 753.25]	J/mol×K	[956.78; 1240.19]
Cp,gas	680.70	J/mol×K	956.78	Joback Calculated Property
Cp,gas	694.22	J/mol×K	1004.01	Joback Calculated Property
Cp,gas	706.93	J/mol×K	1051.25	Joback Calculated Property
Cp,gas	718.99	J/mol×K	1098.48	Joback Calculated Property
Cp,gas	730.61	J/mol×K	1145.72	Joback Calculated Property
Cp,gas	741.96	J/mol×K	1192.95	Joback Calculated Property
Cp,gas	753.25	J/mol×K	1240.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6,13-Pentacenedione.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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