Chemical Properties of Phenanthrene, 3,9-dimethyl- (CAS 66291-32-5)

InChI

InChI=1S/C16H14/c1-11-7-8-13-10-12(2)14-5-3-4-6-15(14)16(13)9-11/h3-10H,1-2H3

InChI Key

MXXOWAVGWFQJHQ-UHFFFAOYSA-N

Formula

C16H14

SMILES

Cc1ccc2cc(C)c3ccccc3c2c1

Molecular Weight¹

206.28

CAS

66291-32-5

Other Names

• 3,9-dimethylphenanthrene

• 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).
• 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	0.5102		Relay (1.0) Calculated Property
ΔfG°	380.66	kJ/mol	Joback Calculated Property
ΔfH°gas	159.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔvapH°	88.38	kJ/mol	Relay (1.0) Calculated Property
IE	7.59	eV	Relay (1.0) Calculated Property
log10WS	-6.22		Relay (1.0) Calculated Property
logPoct/wat	4.610		Crippen Calculated Property
McVol	173.620	ml/mol	McGowan Calculated Property
Pc	2555.92	kPa	Joback Calculated Property
Inp	[339.65; 2011.00]
Inp	2011.00		NIST
Inp	2011.00		NIST
Inp	340.79		NIST
Inp	341.75		NIST
Inp	341.40		NIST
Inp	340.20		NIST
Inp	339.65		NIST
Inp	340.60		NIST
Inp	341.50		NIST
Tboil	638.82	K	Relay (1.0) Calculated Property
Tc	894.85	K	Relay (1.0) Calculated Property
Tfus	361.62	K	Relay (1.0) Calculated Property
Vc	0.660	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[213.30; 535.57]	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			-6.55500e+01
Coefficient B			1.25904e+00
Coefficient C			-9.50120e-04
Coefficient D			2.92200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.30	J/mol×K	273.00	Calculated Property
Cp,gas	273.89	J/mol×K	353.78	Calculated Property
Cp,gas	326.13	J/mol×K	434.56	Calculated Property
Cp,gas	370.94	J/mol×K	515.33	Calculated Property
Cp,gas	409.25	J/mol×K	596.11	Calculated Property
Cp,gas	441.98	J/mol×K	676.89	Calculated Property
Cp,gas	470.05	J/mol×K	757.67	Calculated Property
Cp,gas	494.39	J/mol×K	838.44	Calculated Property
Cp,gas	515.92	J/mol×K	919.22	Calculated Property
Cp,gas	535.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012344; 0.0004590]	Pa×s	[399.46; 622.96]	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			-9.45473e+00
Coefficient B			1.10152e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			399.46
Temperature range, max.			622.96
η	0.0012344	Pa×s	399.46	Calculated Property
η	0.0010504	Pa×s	424.29	Calculated Property
η	0.0009099	Pa×s	449.13	Calculated Property
η	0.0008002	Pa×s	473.96	Calculated Property
η	0.0007128	Pa×s	498.79	Calculated Property
η	0.0006419	Pa×s	523.63	Calculated Property
η	0.0005836	Pa×s	548.46	Calculated Property
η	0.0005350	Pa×s	573.29	Calculated Property
η	0.0004939	Pa×s	598.13	Calculated Property
η	0.0004590	Pa×s	622.96	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 3,9-dimethyl-.

Sources

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

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