Chemical Properties of Cyclopenta[cd]pyrene

InChI

InChI=1S/C18H10/c1-2-11-4-6-13-7-5-12-8-9-15-10-14(3-1)16(11)18(13)17(12)15/h1-10H

InChI Key

BZCXQYVNASLLQO-UHFFFAOYSA-N

Formula

C18H10

SMILES

C1=Cc2cc3cccc4ccc5ccc1c2c5c43

Molecular Weight¹

226.28

Other Names

• Acepyrene
• Acepyrylene
• Cyclopenteno(c,d)pyrene
• 4H-Cyclopenta[cd]pyrene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• 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).
• 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
ΔfH°gas	403.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.28	kJ/mol	Joback Calculated Property
ΔvapH°	99.07	kJ/mol	Relay (1.0) Calculated Property
IE	7.16	eV	Relay (1.0) Calculated Property
log10WS	-6.66		Relay (1.0) Calculated Property
logPoct/wat	5.068		Crippen Calculated Property
McVol	171.480	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
Inp	[391.10; 398.41]
Inp	397.93		NIST
Inp	398.17		NIST
Inp	398.41		NIST
Inp	397.57		NIST
Inp	395.20		NIST
Inp	397.60		NIST
Inp	397.15		NIST
Inp	396.55		NIST
Inp	396.54		NIST
Inp	397.04		NIST
Inp	Outlier 391.10		NIST
Inp	396.55		NIST
Inp	397.04		NIST
Inp	397.15		NIST
Inp	Outlier 391.10		NIST
Inp	397.90		NIST
Inp	397.80		NIST
Inp	397.63		NIST
Inp	396.68		NIST
Inp	397.36		NIST
Inp	398.10		NIST
Inp	396.54		NIST
Inp	397.04		NIST
Inp	Outlier 391.10		NIST
Inp	397.36		NIST
Tboil	703.98	K	Relay (1.0) Calculated Property
Tc	1029.85	K	Relay (1.0) Calculated Property
Tfus	406.81	K	Relay (1.0) Calculated Property
Vc	0.699	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.25; 512.67]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.25330e+02
Coefficient B			1.59200e+00
Coefficient C			-1.54340e-03
Coefficient D			5.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.25	J/mol×K	273.00	Calculated Property
Cp,gas	270.81	J/mol×K	353.78	Calculated Property
Cp,gas	323.40	J/mol×K	434.56	Calculated Property
Cp,gas	365.87	J/mol×K	515.33	Calculated Property
Cp,gas	400.09	J/mol×K	596.11	Calculated Property
Cp,gas	427.92	J/mol×K	676.89	Calculated Property
Cp,gas	451.23	J/mol×K	757.67	Calculated Property
Cp,gas	471.88	J/mol×K	838.44	Calculated Property
Cp,gas	491.74	J/mol×K	919.22	Calculated Property
Cp,gas	512.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043451; 0.0042705]	Pa×s	[499.96; 679.64]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-5.50424e+00
Coefficient B			3.27600e+01
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			499.96
Temperature range, max.			679.64
η	0.0043451	Pa×s	499.96	Calculated Property
η	0.0043342	Pa×s	519.92	Calculated Property
η	0.0043241	Pa×s	539.89	Calculated Property
η	0.0043147	Pa×s	559.85	Calculated Property
η	0.0043060	Pa×s	579.82	Calculated Property
η	0.0042980	Pa×s	599.78	Calculated Property
η	0.0042904	Pa×s	619.75	Calculated Property
η	0.0042833	Pa×s	639.71	Calculated Property
η	0.0042767	Pa×s	659.68	Calculated Property
η	0.0042705	Pa×s	679.64	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopenta[cd]pyrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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