Chemical Properties of Benz[a]anthracene, 10-methyl- (CAS 2381-15-9)

InChI

InChI=1S/C19H14/c1-13-6-7-15-11-16-9-8-14-4-2-3-5-18(14)19(16)12-17(15)10-13/h2-12H,1H3

InChI Key

WUMGYHICFXGLAB-UHFFFAOYSA-N

Formula

C19H14

SMILES

Cc1ccc2cc3ccc4ccccc4c3cc2c1

Molecular Weight¹

242.31

CAS

2381-15-9

Other Names

• 10-Methylbenz[a]anthracene
• 7-Methyl-1,2-benzanthracene

• 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).
• 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	0.5570		Relay (1.0) Calculated Property
ΔfG°	512.57	kJ/mol	Joback Calculated Property
ΔfH°gas	251.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	106.98	kJ/mol	Relay (1.0) Calculated Property
IE	[7.30; 7.37]	eV
IE	7.37	eV	NIST
IE	7.30 ± 0.03	eV	NIST
log10WS	-7.62		Relay (1.0) Calculated Property
logPoct/wat	5.455		Crippen Calculated Property
McVol	196.430	ml/mol	McGowan Calculated Property
Pc	2448.32	kPa	Joback Calculated Property
Inp	[423.30; 2611.00]
Inp	2611.00		NIST
Inp	2575.00		NIST
Inp	423.30		NIST
Inp	423.30		NIST
Tboil	732.79	K	Relay (1.0) Calculated Property
Tc	996.92	K	Relay (1.0) Calculated Property
Tfus	456.45	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.747	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[235.94; 599.56]	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			-9.97200e+01
Coefficient B			1.54032e+00
Coefficient C			-1.25004e-03
Coefficient D			4.09000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	235.94	J/mol×K	273.00	Calculated Property
Cp,gas	306.87	J/mol×K	353.78	Calculated Property
Cp,gas	367.14	J/mol×K	434.56	Calculated Property
Cp,gas	418.06	J/mol×K	515.33	Calculated Property
Cp,gas	460.92	J/mol×K	596.11	Calculated Property
Cp,gas	497.01	J/mol×K	676.89	Calculated Property
Cp,gas	527.63	J/mol×K	757.67	Calculated Property
Cp,gas	554.06	J/mol×K	838.44	Calculated Property
Cp,gas	577.61	J/mol×K	919.22	Calculated Property
Cp,gas	599.56	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016807; 0.0007445]	Pa×s	[456.45; 693.76]	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			-8.76874e+00
Coefficient B			1.08644e+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.			456.45
Temperature range, max.			693.76
η	0.0016807	Pa×s	456.45	Calculated Property
η	0.0014758	Pa×s	482.82	Calculated Property
η	0.0013135	Pa×s	509.19	Calculated Property
η	0.0011825	Pa×s	535.55	Calculated Property
η	0.0010751	Pa×s	561.92	Calculated Property
η	0.0009859	Pa×s	588.29	Calculated Property
η	0.0009108	Pa×s	614.66	Calculated Property
η	0.0008469	Pa×s	641.03	Calculated Property
η	0.0007921	Pa×s	667.40	Calculated Property
η	0.0007445	Pa×s	693.76	Calculated Property

Similar Compounds

Find more compounds similar to Benz[a]anthracene, 10-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

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