Chemical Properties of Phenanthrene, 3,6-dimethyl- (CAS 1576-67-6)

InChI

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

InChI Key

OMIBPZBOAJFEJS-UHFFFAOYSA-N

Formula

C16H14

SMILES

Cc1ccc2ccc3ccc(C)cc3c2c1

Molecular Weight¹

206.28

CAS

1576-67-6

Other Names

• 3,6-Dimethylphenanthrene

• 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).
• 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°	380.66	kJ/mol	Joback Calculated Property
ΔfH°gas	210.69	kJ/mol	Joback Calculated Property
ΔfusH°	24.11	kJ/mol	Joback Calculated Property
ΔvapH°	58.75	kJ/mol	Joback Calculated Property
IE	7.60 ± 0.03	eV	NIST
log10WS	-6.03		Crippen 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	[335.40; 2037.00]
Inp	2037.00		NIST
Inp	2037.00		NIST
Inp	1999.80		NIST
Inp	2008.20		NIST
Inp	1979.00		NIST
Inp	1983.00		NIST
Inp	2027.00		NIST
Inp	2037.00		NIST
Inp	336.41		NIST
Inp	337.83		NIST
Inp	336.46		NIST
Inp	337.00		NIST
Inp	336.53		NIST
Inp	335.40		NIST
Inp	337.83		NIST
Inp	335.46		NIST
Inp	337.80		NIST
Inp	340.10		NIST
Inp	344.90		NIST
Inp	335.40		NIST
Inp	336.60		NIST
Inp	337.83		NIST
Inp	338.65		NIST
Inp	338.60		NIST
Inp	337.83		NIST
Inp	335.46		NIST
Inp	336.60		NIST
Tboil	636.20	K	NIST
Tc	889.67	K	Joback Calculated Property
Tfus	399.46	K	Joback Calculated Property
Vc	0.667	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[429.69; 508.31]	J/mol×K	[645.06; 889.67]
Cp,gas	429.69	J/mol×K	645.06	Joback Calculated Property
Cp,gas	445.30	J/mol×K	685.83	Joback Calculated Property
Cp,gas	459.74	J/mol×K	726.60	Joback Calculated Property
Cp,gas	473.15	J/mol×K	767.36	Joback Calculated Property
Cp,gas	485.63	J/mol×K	808.13	Joback Calculated Property
Cp,gas	497.31	J/mol×K	848.90	Joback Calculated Property
Cp,gas	508.31	J/mol×K	889.67	Joback Calculated Property
η	[0.0004320; 0.0012344]	Pa×s	[399.46; 645.06]
η	0.0012344	Pa×s	399.46	Joback Calculated Property
η	0.0009553	Pa×s	440.39	Joback Calculated Property
η	0.0007722	Pa×s	481.33	Joback Calculated Property
η	0.0006454	Pa×s	522.26	Joback Calculated Property
η	0.0005537	Pa×s	563.19	Joback Calculated Property
η	0.0004850	Pa×s	604.13	Joback Calculated Property
η	0.0004320	Pa×s	645.06	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[474.80; 686.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37543e+01
Coefficient B			-4.78678e+03
Coefficient C			-1.19348e+02
Temperature range, min.			474.80
Temperature range, max.			686.31
Pvap	1.33	kPa	474.80	Calculated Property
Pvap	3.07	kPa	498.30	Calculated Property
Pvap	6.43	kPa	521.80	Calculated Property
Pvap	12.39	kPa	545.30	Calculated Property
Pvap	22.29	kPa	568.80	Calculated Property
Pvap	37.84	kPa	592.31	Calculated Property
Pvap	61.10	kPa	615.81	Calculated Property
Pvap	94.47	kPa	639.31	Calculated Property
Pvap	140.67	kPa	662.81	Calculated Property
Pvap	202.65	kPa	686.31	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 3,6-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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