Chemical Properties of Benz[a]anthracene, 7-methyl- (CAS 2541-69-7)

InChI

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

InChI Key

DIIFUCUPDHMNIV-UHFFFAOYSA-N

Formula

C19H14

SMILES

Cc1c2ccccc2cc2c1ccc1ccccc12

Molecular Weight¹

242.31

CAS

2541-69-7

Other Names

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

• 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
ΔfG°	512.57	kJ/mol	Joback Calculated Property
ΔfH°gas	339.84	kJ/mol	Joback Calculated Property
ΔfusH°	28.90	kJ/mol	Joback Calculated Property
ΔvapH°	67.07	kJ/mol	Joback Calculated Property
IE	[7.24; 7.29]	eV
IE	7.29	eV	NIST
IE	7.24 ± 0.03	eV	NIST
log10WS	-7.36		Crippen 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	[415.70; 2669.00]
Inp	2669.00		NIST
Inp	2669.00		NIST
Inp	2645.00		NIST
Inp	2669.00		NIST
Inp	424.80		NIST
Inp	422.60		NIST
Inp	423.90		NIST
Inp	425.90		NIST
Inp	422.99		NIST
Inp	423.14		NIST
Inp	415.70		NIST
Inp	423.14		NIST
Inp	423.23		NIST
Inp	424.84		NIST
Inp	2669.00		NIST
Tboil	732.68	K	Joback Calculated Property
Tc	990.82	K	Joback Calculated Property
Tfus	465.97	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[518.66; 597.11]	J/mol×K	[732.68; 990.82]
Cp,gas	518.66	J/mol×K	732.68	Joback Calculated Property
Cp,gas	533.84	J/mol×K	775.70	Joback Calculated Property
Cp,gas	547.92	J/mol×K	818.73	Joback Calculated Property
Cp,gas	561.09	J/mol×K	861.75	Joback Calculated Property
Cp,gas	573.55	J/mol×K	904.77	Joback Calculated Property
Cp,gas	585.49	J/mol×K	947.80	Joback Calculated Property
Cp,gas	597.11	J/mol×K	990.82	Joback Calculated Property
η	[0.0006851; 0.0016009]	Pa×s	[465.97; 732.68]
η	0.0016009	Pa×s	465.97	Joback Calculated Property
η	0.0013067	Pa×s	510.42	Joback Calculated Property
η	0.0011019	Pa×s	554.87	Joback Calculated Property
η	0.0009529	Pa×s	599.33	Joback Calculated Property
η	0.0008408	Pa×s	643.78	Joback Calculated Property
η	0.0007540	Pa×s	688.23	Joback Calculated Property
η	0.0006851	Pa×s	732.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benz[a]anthracene, 7-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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