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

• 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
ΔfG°	381.87	kJ/mol	Joback Calculated Property
ΔfH°gas	242.80	kJ/mol	Joback 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. Sol...
log10WS	-5.85		Estimat...
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
Tboil	617.20	K	Joback Calculated Property
Tc	866.35	K	Joback Calculated Property
Tfus	375.67	K	Joback Calculated Property
Vc	0.612	m3/kmol	Joback 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	Hypothe...
Pvap	2.28e-05	kPa	300.00	Hypothe...
Pvap	6.66e-05	kPa	310.00	Hypothe...
Pvap	1.80e-04	kPa	320.00	Hypothe...
Pvap	4.56e-04	kPa	330.00	Hypothe...
Pvap	1.08e-03	kPa	340.00	Hypothe...
Pvap	2.40e-03	kPa	350.00	Hypothe...
Pvap	5.07e-03	kPa	360.00	Hypothe...
Pvap	0.01	kPa	370.00	Hypothe...
Pvap	0.02	kPa	380.00	Hypothe...
Pvap	0.04	kPa	390.00	Hypothe...
Pvap	0.06	kPa	400.00	Hypothe...
Pvap	0.11	kPa	410.00	Hypothe...
Pvap	0.18	kPa	420.00	Hypothe...
Pvap	0.29	kPa	430.00	Hypothe...
Pvap	0.46	kPa	440.00	Hypothe...
Pvap	0.71	kPa	450.00	Hypothe...
Pvap	1.05	kPa	460.00	Hypothe...
Pvap	1.54	kPa	470.00	Hypothe...
Pvap	2.20	kPa	480.00	Hypothe...
Pvap	3.09	kPa	490.00	Hypothe...
Pvap	4.26	kPa	500.00	Hypothe...
Pvap	5.79	kPa	510.00	Hypothe...

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[463.72; 667.69]	The Yaw...
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

• 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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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.