Chemical Properties of Cyclopenta(cd)perylene (CAS 189-01-5)

InChI

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

InChI Key

IVZZWHVVAJTPOG-UHFFFAOYSA-N

Formula

C22H12

SMILES

C1=Cc2ccc3c4cccc5cccc(c6ccc1c2c63)c54

Molecular Weight¹

276.33

CAS

189-01-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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).
• 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
ΔfG°	729.98	kJ/mol	Joback Calculated Property
ΔfH°gas	557.67	kJ/mol	Joback Calculated Property
ΔfusH°	36.27	kJ/mol	Joback Calculated Property
ΔvapH°	76.42	kJ/mol	Joback Calculated Property
log10WS	-8.96		Crippen Calculated Property
logPoct/wat	6.221		Crippen Calculated Property
McVol	208.380	ml/mol	McGowan Calculated Property
Pc	2485.07	kPa	Joback Calculated Property
Inp	[484.70; 3232.00]
Inp	3232.00		NIST
Inp	484.70		NIST
Tboil	828.86	K	Joback Calculated Property
Tc	1092.51	K	Joback Calculated Property
Tfus	590.26	K	Joback Calculated Property
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

Similar Compounds

Find more compounds similar to Cyclopenta(cd)perylene.

Sources

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

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