Chemical Properties of Fluoranthene, 2-methyl- (CAS 33543-31-6)

InChI

InChI=1S/C17H12/c1-11-9-12-5-4-8-15-13-6-2-3-7-14(13)16(10-11)17(12)15/h2-10H,1H3

InChI Key

VVRCMNWZFPMXQZ-UHFFFAOYSA-N

Formula

C17H12

SMILES

Cc1cc2c3c(cccc3c1)-c1ccccc1-2

Molecular Weight¹

216.28

CAS

33543-31-6

Other Names

• 2-Methylfluoranthene

• 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_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	0.5426		Relay (1.0) Calculated Property
ΔfG°	489.97	kJ/mol	Joback Calculated Property
ΔfH°gas	250.32	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	26.70	kJ/mol	Joback Calculated Property
ΔvapH°	92.76	kJ/mol	Relay (1.0) Calculated Property
IE	7.64	eV	Relay (1.0) Calculated Property
log10WS	-6.76		Relay (1.0) Calculated Property
logPoct/wat	4.796		Crippen Calculated Property
McVol	172.550	ml/mol	McGowan Calculated Property
Pc	2726.86	kPa	Joback Calculated Property
Inp	[362.09; 362.09]
Inp	362.09		NIST
Inp	362.09		NIST
Tboil	670.41	K	Relay (1.0) Calculated Property
Tc	947.45	K	Relay (1.0) Calculated Property
Tfus	350.19	K	Relay (1.0) Calculated Property
Vc	0.683	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[209.78; 524.12]	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			-9.54400e+01
Coefficient B			1.42552e+00
Coefficient C			-1.24676e-03
Coefficient D			4.40800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	209.78	J/mol×K	273.00	Calculated Property
Cp,gas	272.35	J/mol×K	353.78	Calculated Property
Cp,gas	324.76	J/mol×K	434.56	Calculated Property
Cp,gas	368.40	J/mol×K	515.33	Calculated Property
Cp,gas	404.67	J/mol×K	596.11	Calculated Property
Cp,gas	434.95	J/mol×K	676.89	Calculated Property
Cp,gas	460.64	J/mol×K	757.67	Calculated Property
Cp,gas	483.14	J/mol×K	838.44	Calculated Property
Cp,gas	503.83	J/mol×K	919.22	Calculated Property
Cp,gas	524.12	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019946; 0.0013498]	Pa×s	[449.71; 651.43]	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			-7.47841e+00
Coefficient B			5.67140e+02
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.			449.71
Temperature range, max.			651.43
η	0.0019946	Pa×s	449.71	Calculated Property
η	0.0018787	Pa×s	472.12	Calculated Property
η	0.0017792	Pa×s	494.54	Calculated Property
η	0.0016929	Pa×s	516.95	Calculated Property
η	0.0016174	Pa×s	539.36	Calculated Property
η	0.0015510	Pa×s	561.78	Calculated Property
η	0.0014921	Pa×s	584.19	Calculated Property
η	0.0014395	Pa×s	606.60	Calculated Property
η	0.0013923	Pa×s	629.02	Calculated Property
η	0.0013498	Pa×s	651.43	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[503.76; 711.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43521e+01
Coefficient B			-5.25038e+03
Coefficient C			-1.30454e+02
Temperature range, min.			503.76
Temperature range, max.			711.21
Pvap	1.33	kPa	503.76	Calculated Property
Pvap	3.02	kPa	526.81	Calculated Property
Pvap	6.26	kPa	549.86	Calculated Property
Pvap	12.01	kPa	572.91	Calculated Property
Pvap	21.61	kPa	595.96	Calculated Property
Pvap	36.80	kPa	619.01	Calculated Property
Pvap	59.72	kPa	642.06	Calculated Property
Pvap	92.95	kPa	665.11	Calculated Property
Pvap	139.48	kPa	688.16	Calculated Property
Pvap	202.66	kPa	711.21	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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