Chemical Properties of 3-Acetylphenanthrene (CAS 2039-76-1)

InChI

InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3

InChI Key

JKVNPRNAHRHQDD-UHFFFAOYSA-N

Formula

C16H12O

SMILES

CC(=O)c1ccc2ccc3ccccc3c2c1

Molecular Weight¹

220.27

CAS

2039-76-1

Other Names

• Ethanone, 1-(3-phenanthrenyl)-
• Ketone, methyl 3-phenanthryl
• methyl 3-phenanthryl ketone

• ω : Acentric Factor.
• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.68; 527.63]	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			-7.24900e+01
Coefficient B			1.29052e+00
Coefficient C			-9.98460e-04
Coefficient D			3.08060e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.68	J/mol×K	273.00	Calculated Property
Cp,gas	272.74	J/mol×K	353.78	Calculated Property
Cp,gas	325.04	J/mol×K	434.56	Calculated Property
Cp,gas	369.56	J/mol×K	515.33	Calculated Property
Cp,gas	407.26	J/mol×K	596.11	Calculated Property
Cp,gas	439.12	J/mol×K	676.89	Calculated Property
Cp,gas	466.11	J/mol×K	757.67	Calculated Property
Cp,gas	489.21	J/mol×K	838.44	Calculated Property
Cp,gas	509.39	J/mol×K	919.22	Calculated Property
Cp,gas	527.63	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016094; 0.0005440]	Pa×s	[436.87; 660.62]	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			-9.63414e+00
Coefficient B			1.39897e+03
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.			436.87
Temperature range, max.			660.62
η	0.0016094	Pa×s	436.87	Calculated Property
η	0.0013545	Pa×s	461.73	Calculated Property
η	0.0011603	Pa×s	486.59	Calculated Property
η	0.0010089	Pa×s	511.45	Calculated Property
η	0.0008888	Pa×s	536.32	Calculated Property
η	0.0007918	Pa×s	561.18	Calculated Property
η	0.0007123	Pa×s	586.04	Calculated Property
η	0.0006464	Pa×s	610.90	Calculated Property
η	0.0005910	Pa×s	635.76	Calculated Property
η	0.0005440	Pa×s	660.62	Calculated Property

Similar Compounds

Find more compounds similar to 3-Acetylphenanthrene.

Sources

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

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