Chemical Properties of Phenanthrene, 9-phenyl- (CAS 844-20-2)

InChI

InChI=1S/C20H14/c1-2-8-15(9-3-1)20-14-16-10-4-5-11-17(16)18-12-6-7-13-19(18)20/h1-14H

InChI Key

JGGISUSKZFMBOJ-UHFFFAOYSA-N

Formula

C20H14

SMILES

c1ccc(-c2cc3ccccc3c3ccccc23)cc1

Molecular Weight¹

254.33

CAS

844-20-2

Other Names

• 9-PhenyIphenanthrene
• 9-phenylphenanthrene

• ω : Acentric Factor.
• 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
ω	0.5254		Relay (1.0) Calculated Property
ΔfH°gas	348.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	112.46	kJ/mol	Relay (1.0) Calculated Property
IE	7.65	eV	NIST
log10WS	-7.33		Relay (1.0) Calculated Property
logPoct/wat	5.660		Crippen Calculated Property
McVol	206.220	ml/mol	McGowan Calculated Property
Pc	2460.47	kPa	Joback Calculated Property
Inp	[404.02; 406.90]
Inp	405.36		NIST
Inp	405.82		NIST
Inp	406.90		NIST
Inp	404.02		NIST
Inp	406.90		NIST
Inp	404.02		NIST
Tboil	719.52	K	Relay (1.0) Calculated Property
Tc	1008.81	K	Relay (1.0) Calculated Property
Tfus	397.45	K	Relay (1.0) Calculated Property
Vc	0.775	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[238.35; 626.45]	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			-1.17390e+02
Coefficient B			1.61960e+00
Coefficient C			-1.26596e-03
Coefficient D			3.90200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	238.35	J/mol×K	273.00	Calculated Property
Cp,gas	314.42	J/mol×K	353.78	Calculated Property
Cp,gas	379.37	J/mol×K	434.56	Calculated Property
Cp,gas	434.45	J/mol×K	515.33	Calculated Property
Cp,gas	480.87	J/mol×K	596.11	Calculated Property
Cp,gas	519.88	J/mol×K	676.89	Calculated Property
Cp,gas	552.71	J/mol×K	757.67	Calculated Property
Cp,gas	580.59	J/mol×K	838.44	Calculated Property
Cp,gas	604.76	J/mol×K	919.22	Calculated Property
Cp,gas	626.45	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013464; 0.0003902]	Pa×s	[458.44; 720.07]	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			-1.00194e+01
Coefficient B			1.56284e+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.			458.44
Temperature range, max.			720.07
η	0.0013464	Pa×s	458.44	Calculated Property
η	0.0010987	Pa×s	487.51	Calculated Property
η	0.0009174	Pa×s	516.58	Calculated Property
η	0.0007808	Pa×s	545.65	Calculated Property
η	0.0006755	Pa×s	574.72	Calculated Property
η	0.0005926	Pa×s	603.79	Calculated Property
η	0.0005262	Pa×s	632.86	Calculated Property
η	0.0004721	Pa×s	661.93	Calculated Property
η	0.0004275	Pa×s	691.00	Calculated Property
η	0.0003902	Pa×s	720.07	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 9-phenyl-.

Sources

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

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