Chemical Properties of Phenanthrene, 2-methyl- (CAS 2531-84-2)

InChI

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

InChI Key

KANLOADZXMMCQA-UHFFFAOYSA-N

Formula

C15H12

SMILES

Cc1ccc2c(ccc3ccccc32)c1

Molecular Weight¹

192.26

CAS

2531-84-2

Other Names

• 2-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).
• 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.
• I : 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
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°	55.86	kJ/mol	Joback Calculated Property
IE	7.90 ± 0.04	eV	NIST
log10WS	[-5.84; -5.84]
log10WS	-5.84		Aq. Sol...
log10WS	-5.84		Estimat...
logPoct/wat	4.301		Crippen Calculated Property
McVol	159.530	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[312.30; 1945.00]
Inp	1945.00		NIST
Inp	1945.00		NIST
Inp	1884.00		NIST
Inp	1909.30		NIST
Inp	1860.00		NIST
Inp	1865.00		NIST
Inp	1875.00		NIST
Inp	1875.00		NIST
Inp	1945.00		NIST
Inp	319.78		NIST
Inp	312.30		NIST
Inp	320.17		NIST
Inp	319.50		NIST
Inp	319.85		NIST
Inp	319.03		NIST
Inp	319.76		NIST
Inp	320.08		NIST
Inp	319.48		NIST
Inp	320.39		NIST
Inp	320.34		NIST
Inp	319.99		NIST
Inp	320.08		NIST
Inp	320.10		NIST
Inp	319.76		NIST
Inp	319.93		NIST
Inp	320.17		NIST
Inp	318.50		NIST
Inp	319.67		NIST
Inp	319.67		NIST
Inp	319.76		NIST
Inp	319.99		NIST
Inp	316.40		NIST
Inp	336.17		NIST
Inp	319.31		NIST
Inp	316.40		NIST
Inp	319.50		NIST
Inp	320.20		NIST
Inp	319.50		NIST
Inp	320.97		NIST
Inp	319.13		NIST
Inp	316.40		NIST
Inp	320.17		NIST
Inp	320.25		NIST
Inp	320.30		NIST
Inp	321.28		NIST
Inp	318.50		NIST
Inp	316.40		NIST
Inp	320.20		NIST
Inp	320.17		NIST
Inp	1945.00		NIST
Inp	319.78		NIST
Inp	319.03		NIST
Inp	320.34		NIST
Inp	319.93		NIST
Inp	1875.00		NIST
Inp	1865.00		NIST
Inp	1884.00		NIST
I	[2907.00; 2907.00]
I	2907.00		NIST
I	2907.00		NIST
Tboil	617.20	K	Joback Calculated Property
Tc	866.35	K	Joback Calculated Property
Tfus	[328.00; 330.00]	K
Tfus	330.00 ± 3.00	K	NIST
Tfus	329.00 ± 3.00	K	NIST
Tfus	328.00 ± 4.00	K	NIST
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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[462.00; 668.35]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.37620e+01
Coefficient B			-4.67696e+03
Coefficient C			-1.14900e+02
Temperature range, min.			462.00
Temperature range, max.			668.35
Pvap	1.33	kPa	462.00	Calculated Property
Pvap	3.07	kPa	484.93	Calculated Property
Pvap	6.42	kPa	507.86	Calculated Property
Pvap	12.38	kPa	530.78	Calculated Property
Pvap	22.28	kPa	553.71	Calculated Property
Pvap	37.83	kPa	576.64	Calculated Property
Pvap	61.08	kPa	599.57	Calculated Property
Pvap	94.45	kPa	622.49	Calculated Property
Pvap	140.64	kPa	645.42	Calculated Property
Pvap	202.64	kPa	668.35	Calculated Property

Similar Compounds

Find more compounds similar to Phenanthrene, 2-methyl-.

Sources

• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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