Chemical Properties of Phenanthrene, 1-methyl- (CAS 832-69-9)

InChI

InChI=1S/C15H12/c1-11-5-4-8-15-13(11)10-9-12-6-2-3-7-14(12)15/h2-10H,1H3

InChI Key

DOWJXOHBNXRUOD-UHFFFAOYSA-N

Formula

C15H12

SMILES

Cc1cccc2c1ccc1ccccc12

Molecular Weight¹

192.26

CAS

832-69-9

Other Names

• 1-methylphenanthrene

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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
ω	0.4652		Relay (1.0) Calculated Property
ΔfG°	381.87	kJ/mol	Joback Calculated Property
ΔfH°gas	185.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	84.50 ± 1.40	kJ/mol	NIST
IE	[7.70; 7.70]	eV
IE	7.70 ± 0.03	eV	NIST
IE	7.70 ± 0.03	eV	NIST
log10WS	[-5.85; -5.85]
log10WS	-5.85		Aq. Solubility Prediction
log10WS	-5.85		Estimated Solubility
logPoct/wat	4.301		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[319.96; 1944.00]
Inp	Outlier 1901.20		NIST
Inp	Outlier 1944.00		NIST
Inp	Outlier 1883.00		NIST
Inp	Outlier 1890.00		NIST
Inp	Outlier 1888.00		NIST
Inp	Outlier 1929.00		NIST
Inp	Outlier 1896.00		NIST
Inp	323.59		NIST
Inp	323.90		NIST
Inp	323.60		NIST
Inp	323.79		NIST
Inp	323.52		NIST
Inp	323.67		NIST
Inp	323.92		NIST
Inp	324.21		NIST
Inp	323.78		NIST
Inp	323.70		NIST
Inp	323.90		NIST
Inp	324.00		NIST
Inp	323.52		NIST
Inp	323.79		NIST
Inp	323.64		NIST
Inp	323.90		NIST
Inp	321.10		NIST
Inp	323.54		NIST
Inp	323.52		NIST
Inp	323.54		NIST
Inp	323.78		NIST
Inp	320.00		NIST
Inp	338.91		NIST
Inp	323.30		NIST
Inp	323.30		NIST
Inp	323.90		NIST
Inp	323.60		NIST
Inp	322.61		NIST
Inp	323.60		NIST
Inp	323.60		NIST
Inp	324.60		NIST
Inp	319.96		NIST
Inp	323.90		NIST
Inp	323.91		NIST
Inp	323.80		NIST
Inp	321.28		NIST
Inp	321.43		NIST
Inp	323.90		NIST
Inp	323.59		NIST
Inp	323.67		NIST
Inp	323.90		NIST
Inp	Outlier 1888.00		NIST
Inp	Outlier 1929.00		NIST
Tboil	626.12	K	Relay (1.0) Calculated Property
Tc	887.24	K	Relay (1.0) Calculated Property
Tfus	352.25	K	Relay (1.0) Calculated Property
Vc	0.607	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[381.22; 456.90]	J/mol×K	[617.20; 866.35]
Cp,gas	381.22	J/mol×K	617.20	Joback Calculated Property
Cp,gas	396.50	J/mol×K	658.73	Joback Calculated Property
Cp,gas	410.54	J/mol×K	700.25	Joback Calculated Property
Cp,gas	423.46	J/mol×K	741.78	Joback Calculated Property
Cp,gas	435.41	J/mol×K	783.30	Joback Calculated Property
Cp,gas	446.52	J/mol×K	824.83	Joback Calculated Property
Cp,gas	456.90	J/mol×K	866.35	Joback Calculated Property
η	[0.0004506; 0.0013574]	Pa×s	[375.67; 617.20]
η	0.0013574	Pa×s	375.67	Joback Calculated Property
η	0.0010334	Pa×s	415.93	Joback Calculated Property
η	0.0008255	Pa×s	456.18	Joback Calculated Property
η	0.0006839	Pa×s	496.44	Joback Calculated Property
η	0.0005828	Pa×s	536.69	Joback Calculated Property
η	0.0005079	Pa×s	576.95	Joback Calculated Property
η	0.0004506	Pa×s	617.20	Joback Calculated Property
ΔvapH	76.30	kJ/mol	398.00	NIST
Pvap	[1.85e-05; 5.79]	kPa	[298.15; 510.00]
Pvap	1.85e-05	kPa	298.15	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.28e-05	kPa	300.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	6.66e-05	kPa	310.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.80e-04	kPa	320.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.56e-04	kPa	330.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.08e-03	kPa	340.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.40e-03	kPa	350.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.07e-03	kPa	360.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.01	kPa	370.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.02	kPa	380.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.04	kPa	390.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.06	kPa	400.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.11	kPa	410.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.18	kPa	420.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.29	kPa	430.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.46	kPa	440.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	0.71	kPa	450.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.05	kPa	460.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	1.54	kPa	470.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	2.20	kPa	480.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	3.09	kPa	490.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	4.26	kPa	500.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
Pvap	5.79	kPa	510.00	Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[463.72; 667.69]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.38885e+01
Coefficient B			-4.73615e+03
Coefficient C			-1.15498e+02
Temperature range, min.			463.72
Temperature range, max.			667.69
Pvap	1.33	kPa	463.72	Calculated Property
Pvap	3.06	kPa	486.38	Calculated Property
Pvap	6.39	kPa	509.05	Calculated Property
Pvap	12.30	kPa	531.71	Calculated Property
Pvap	22.13	kPa	554.37	Calculated Property
Pvap	37.60	kPa	577.04	Calculated Property
Pvap	60.78	kPa	599.70	Calculated Property
Pvap	94.12	kPa	622.36	Calculated Property
Pvap	140.39	kPa	645.03	Calculated Property
Pvap	202.66	kPa	667.69	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 1-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Hypothetical Thermodynamic Properties. Subcooled Vaporization Enthalpies and Vapor Pressures of Polyaromatic Hydrocarbons
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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