Chemical Properties of 4H-Cyclopenta[def]phenanthrene (CAS 203-64-5)

InChI

InChI=1S/C15H10/c1-3-10-7-8-11-4-2-6-13-9-12(5-1)14(10)15(11)13/h1-8H,9H2

InChI Key

RKZDZWJDQTZDLD-UHFFFAOYSA-N

Formula

C15H10

SMILES

c1cc2c3c(c1)ccc1cccc(c13)C2

Molecular Weight¹

190.24

CAS

203-64-5

Other Names

• 4,5-methylenephenanthrene
• 4,5-phenanthrylenemethane
• 4H-Cyclopenta[def]phenathrene
• 4H-Cyclopenta[drf]phenanthrene
• Cyclopenta[def]phenanthrene
• Methylenephenanthrene
• NSC 88888
• Phenanthrene, 4,5-methylene-
• benzo[def]fluorene
• methane, 4,5-phenanthrylene-

• 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).
• P_vap : Vapor 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°	464.90	kJ/mol	Joback Calculated Property
ΔfH°gas	336.79	kJ/mol	Joback Calculated Property
ΔfusH°	22.78	kJ/mol	Joback Calculated Property
ΔvapH°	83.40 ± 0.70	kJ/mol	NIST
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	3.897		Crippen Calculated Property
McVol	148.670	ml/mol	McGowan Calculated Property
Pc	3195.54	kPa	Joback Calculated Property
Inp	[318.60; 1936.00]
Inp	Outlier 1876.18		NIST
Inp	Outlier 1864.28		NIST
Inp	Outlier 1875.00		NIST
Inp	Outlier 1879.00		NIST
Inp	Outlier 1888.00		NIST
Inp	Outlier 1887.00		NIST
Inp	Outlier 1936.00		NIST
Inp	318.60		NIST
Inp	318.60		NIST
Inp	322.08		NIST
Inp	322.30		NIST
Inp	322.64		NIST
Inp	321.96		NIST
Inp	322.52		NIST
Inp	322.42		NIST
Inp	322.02		NIST
Inp	322.50		NIST
Inp	321.96		NIST
Inp	322.15		NIST
Inp	321.77		NIST
Inp	322.08		NIST
Inp	322.18		NIST
Inp	325.73		NIST
Inp	321.96		NIST
Inp	322.08		NIST
Inp	322.18		NIST
Inp	325.73		NIST
Inp	319.10		NIST
Inp	319.50		NIST
Inp	322.10		NIST
Inp	322.30		NIST
Inp	322.30		NIST
Inp	319.53		NIST
Inp	320.05		NIST
Inp	321.05		NIST
Inp	322.08		NIST
Inp	322.82		NIST
Inp	322.08		NIST
Inp	322.08		NIST
Inp	319.42		NIST
Tboil	625.05	K	Joback Calculated Property
Tc	875.79	K	Joback Calculated Property
Tfus	417.41	K	Joback Calculated Property
Vc	0.586	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[360.17; 425.53]	J/mol×K	[625.05; 875.79]
Cp,gas	360.17	J/mol×K	625.05	Joback Calculated Property
Cp,gas	373.26	J/mol×K	666.84	Joback Calculated Property
Cp,gas	385.19	J/mol×K	708.63	Joback Calculated Property
Cp,gas	396.18	J/mol×K	750.42	Joback Calculated Property
Cp,gas	406.43	J/mol×K	792.21	Joback Calculated Property
Cp,gas	416.15	J/mol×K	834.00	Joback Calculated Property
Cp,gas	425.53	J/mol×K	875.79	Joback Calculated Property
η	[0.0016686; 0.0021397]	Pa×s	[417.41; 625.05]
η	0.0021397	Pa×s	417.41	Joback Calculated Property
η	0.0020205	Pa×s	452.02	Joback Calculated Property
η	0.0019236	Pa×s	486.62	Joback Calculated Property
η	0.0018433	Pa×s	521.23	Joback Calculated Property
η	0.0017758	Pa×s	555.84	Joback Calculated Property
η	0.0017182	Pa×s	590.44	Joback Calculated Property
η	0.0016686	Pa×s	625.05	Joback Calculated Property
Pvap	[2.63e-05; 5.41]	kPa	[298.15; 510.00]
Pvap	2.63e-05	kPa	298.15	Hypothe...
Pvap	3.24e-05	kPa	300.00	Hypothe...
Pvap	9.50e-05	kPa	310.00	Hypothe...
Pvap	2.57e-04	kPa	320.00	Hypothe...
Pvap	6.44e-04	kPa	330.00	Hypothe...
Pvap	1.51e-03	kPa	340.00	Hypothe...
Pvap	3.34e-03	kPa	350.00	Hypothe...
Pvap	6.96e-03	kPa	360.00	Hypothe...
Pvap	0.01	kPa	370.00	Hypothe...
Pvap	0.03	kPa	380.00	Hypothe...
Pvap	0.05	kPa	390.00	Hypothe...
Pvap	0.08	kPa	400.00	Hypothe...
Pvap	0.14	kPa	410.00	Hypothe...
Pvap	0.22	kPa	420.00	Hypothe...
Pvap	0.35	kPa	430.00	Hypothe...
Pvap	0.53	kPa	440.00	Hypothe...
Pvap	0.79	kPa	450.00	Hypothe...
Pvap	1.15	kPa	460.00	Hypothe...
Pvap	1.62	kPa	470.00	Hypothe...
Pvap	2.26	kPa	480.00	Hypothe...
Pvap	3.07	kPa	490.00	Hypothe...
Pvap	4.11	kPa	500.00	Hypothe...
Pvap	5.41	kPa	510.00	Hypothe...

Similar Compounds

Find more compounds similar to 4H-Cyclopenta[def]phenanthrene.

Sources

• Crippen Method
• Crippen Method
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• McGowan Method
• NIST Webbook

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