Chemical Properties of Phenanthrene, 3-methyl- (CAS 832-71-3)

InChI

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

InChI Key

GKYWZUBZZBHZKU-UHFFFAOYSA-N

Formula

C15H12

SMILES

Cc1ccc2ccc3ccccc3c2c1

Molecular Weight¹

192.26

CAS

832-71-3

Other Names

• 3-MethyIphenanthrene
• 3-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).
• 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_boilr : Boiling point at reduced pressure (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	0.4713		Relay (1.0) Calculated Property
ΔfG°	381.87	kJ/mol	Joback Calculated Property
ΔfH°gas	187.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.91	kJ/mol	Joback Calculated Property
ΔvapH°	82.04	kJ/mol	Relay (1.0) Calculated Property
IE	[7.68; 7.90]	eV
IE	7.90	eV	NIST
IE	7.68 ± 0.01	eV	NIST
log10WS	-5.77		Relay (1.0) Calculated Property
logPoct/wat	4.301		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[315.00; 1938.00]
Inp	Outlier 1938.00		NIST
Inp	Outlier 1938.00		NIST
Inp	Outlier 1879.60		NIST
Inp	Outlier 1909.30		NIST
Inp	1861.00		NIST
Inp	1868.00		NIST
Inp	Outlier 1911.00		NIST
Inp	Outlier 1938.00		NIST
Inp	318.85		NIST
Inp	319.46		NIST
Inp	318.60		NIST
Inp	318.93		NIST
Inp	317.58		NIST
Inp	319.08		NIST
Inp	318.88		NIST
Inp	319.04		NIST
Inp	318.61		NIST
Inp	319.40		NIST
Inp	319.40		NIST
Inp	319.34		NIST
Inp	319.54		NIST
Inp	319.03		NIST
Inp	318.90		NIST
Inp	319.30		NIST
Inp	319.60		NIST
Inp	318.93		NIST
Inp	319.06		NIST
Inp	319.19		NIST
Inp	319.46		NIST
Inp	318.83		NIST
Inp	318.83		NIST
Inp	318.93		NIST
Inp	319.03		NIST
Inp	315.60		NIST
Inp	318.17		NIST
Inp	315.60		NIST
Inp	318.60		NIST
Inp	319.50		NIST
Inp	318.60		NIST
Inp	319.46		NIST
Inp	318.22		NIST
Inp	317.70		NIST
Inp	319.20		NIST
Inp	319.60		NIST
Inp	315.61		NIST
Inp	319.46		NIST
Inp	319.55		NIST
Inp	315.00		NIST
Inp	316.35		NIST
Inp	319.46		NIST
Inp	Outlier 1938.00		NIST
Inp	Outlier 1911.00		NIST
Inp	318.83		NIST
Inp	318.17		NIST
Inp	319.46		NIST
Inp	315.61		NIST
Inp	1868.00		NIST
Tboil	627.14	K	Relay (1.0) Calculated Property
Tc	883.70	K	Relay (1.0) Calculated Property
Tfus	338.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.608	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.54; 487.02]	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			-7.89400e+01
Coefficient B			1.22352e+00
Coefficient C			-9.62760e-04
Coefficient D			3.05200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.54	J/mol×K	273.00	Calculated Property
Cp,gas	246.93	J/mol×K	353.78	Calculated Property
Cp,gas	295.99	J/mol×K	434.56	Calculated Property
Cp,gas	337.67	J/mol×K	515.33	Calculated Property
Cp,gas	372.95	J/mol×K	596.11	Calculated Property
Cp,gas	402.78	J/mol×K	676.89	Calculated Property
Cp,gas	428.14	J/mol×K	757.67	Calculated Property
Cp,gas	449.99	J/mol×K	838.44	Calculated Property
Cp,gas	469.30	J/mol×K	919.22	Calculated Property
Cp,gas	487.02	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0018556; 0.0004642]	Pa×s	[338.15; 606.64]	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			-9.42015e+00
Coefficient B			1.05862e+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.			338.15
Temperature range, max.			606.64
η	0.0018556	Pa×s	338.15	Calculated Property
η	0.0014397	Pa×s	367.98	Calculated Property
η	0.0011603	Pa×s	397.82	Calculated Property
η	0.0009637	Pa×s	427.65	Calculated Property
η	0.0008201	Pa×s	457.48	Calculated Property
η	0.0007118	Pa×s	487.31	Calculated Property
η	0.0006279	Pa×s	517.15	Calculated Property
η	0.0005616	Pa×s	546.98	Calculated Property
η	0.0005081	Pa×s	576.81	Calculated Property
η	0.0004642	Pa×s	606.64	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[460.52; 668.93]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36552e+01
Coefficient B			-4.62698e+03
Coefficient C			-1.14386e+02
Temperature range, min.			460.52
Temperature range, max.			668.93
Pvap	1.33	kPa	460.52	Calculated Property
Pvap	3.08	kPa	483.68	Calculated Property
Pvap	6.46	kPa	506.83	Calculated Property
Pvap	12.45	kPa	529.99	Calculated Property
Pvap	22.41	kPa	553.15	Calculated Property
Pvap	38.03	kPa	576.30	Calculated Property
Pvap	61.34	kPa	599.46	Calculated Property
Pvap	94.74	kPa	622.62	Calculated Property
Pvap	140.87	kPa	645.77	Calculated Property
Pvap	202.64	kPa	668.93	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 3-methyl-.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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