Chemical Properties of 17-Methyl-16,17-dihydro-15H-cyclopenta(a)phenanthrene

InChI

InChI=1S/C18H16/c1-12-6-8-16-14(12)10-11-17-15-5-3-2-4-13(15)7-9-18(16)17/h2-5,7,9-12H,6,8H2,1H3

InChI Key

GRGSXXHCCGOGRX-UHFFFAOYSA-N

Formula

C18H16

SMILES

CC1CCc2c1ccc1c2ccc2ccccc21

Molecular Weight¹

232.32

• 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	150.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.42	kJ/mol	Joback Calculated Property
ΔvapH°	97.37	kJ/mol	Relay (1.0) Calculated Property
IE	7.59	eV	Relay (1.0) Calculated Property
log10WS	-6.37		Relay (1.0) Calculated Property
logPoct/wat	5.043		Crippen Calculated Property
McVol	190.940	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[374.63; 375.72]
Inp	374.63		NIST
Inp	375.72		NIST
Tboil	680.04	K	Relay (1.0) Calculated Property
Tc	939.51	K	Relay (1.0) Calculated Property
Tfus	367.47	K	Relay (1.0) Calculated Property
Vc	0.726	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	[232.29; 618.49]	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			-1.17610e+02
Coefficient B			1.59992e+00
Coefficient C			-1.27912e-03
Coefficient D			4.15300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	232.29	J/mol×K	273.00	Calculated Property
Cp,gas	306.70	J/mol×K	353.78	Calculated Property
Cp,gas	370.18	J/mol×K	434.56	Calculated Property
Cp,gas	424.02	J/mol×K	515.33	Calculated Property
Cp,gas	469.56	J/mol×K	596.11	Calculated Property
Cp,gas	508.09	J/mol×K	676.89	Calculated Property
Cp,gas	540.94	J/mol×K	757.67	Calculated Property
Cp,gas	569.41	J/mol×K	838.44	Calculated Property
Cp,gas	594.82	J/mol×K	919.22	Calculated Property
Cp,gas	618.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020243; 0.0011182]	Pa×s	[439.94; 663.91]	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			-7.96186e+00
Coefficient B			7.74000e+02
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.			439.94
Temperature range, max.			663.91
η	0.0020243	Pa×s	439.94	Calculated Property
η	0.0018423	Pa×s	464.83	Calculated Property
η	0.0016929	Pa×s	489.71	Calculated Property
η	0.0015683	Pa×s	514.60	Calculated Property
η	0.0014632	Pa×s	539.48	Calculated Property
η	0.0013735	Pa×s	564.37	Calculated Property
η	0.0012962	Pa×s	589.25	Calculated Property
η	0.0012290	Pa×s	614.14	Calculated Property
η	0.0011701	Pa×s	639.02	Calculated Property
η	0.0011182	Pa×s	663.91	Calculated Property

Similar Compounds

Find more compounds similar to 17-Methyl-16,17-dihydro-15H-cyclopenta(a)phenanthrene.

Sources

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

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