Chemical Properties of Benz[a]anthracene, 1,12-dimethyl- (CAS 313-74-6)

InChI

InChI=1S/C20H16/c1-13-6-5-8-15-10-11-17-12-16-7-3-4-9-18(16)14(2)20(17)19(13)15/h3-12H,1-2H3

InChI Key

XDOAGYHDDFESMV-UHFFFAOYSA-N

Formula

C20H16

SMILES

Cc1cccc2ccc3cc4ccccc4c(C)c3c12

Molecular Weight¹

256.34

CAS

313-74-6

Other Names

• 1,12-Dimethylbenz[a]anthracene
• 1',9-Dimethyl-1,2-benzanthracene
• Benz[b]anthracene, 7,12-dimethyl
• 1,12-Dimethylbenzo[a]anthracene

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• 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_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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
ΔcH°solid	-10295.80 ± 2.00	kJ/mol	NIST
ΔfG°	511.36	kJ/mol	Joback Calculated Property
ΔfH°gas	307.73	kJ/mol	Joback Calculated Property
ΔfH°solid	138.90 ± 2.80	kJ/mol	NIST
ΔfusH°	31.10	kJ/mol	Joback Calculated Property
ΔvapH°	69.96	kJ/mol	Joback Calculated Property
log10WS	-7.84		Crippen Calculated Property
logPoct/wat	5.763		Crippen Calculated Property
McVol	210.520	ml/mol	McGowan Calculated Property
Pc	2200.01	kPa	Joback Calculated Property
Inp	[436.43; 2822.00]
Inp	2822.00		NIST
Inp	440.30		NIST
Inp	436.82		NIST
Inp	436.43		NIST
Inp	436.82		NIST
Inp	2822.00		NIST
Tboil	760.54	K	Joback Calculated Property
Tc	1013.66	K	Joback Calculated Property
Tfus	489.76	K	Joback Calculated Property
Vc	0.814	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[570.63; 652.05]	J/mol×K	[760.54; 1013.66]
Cp,gas	570.63	J/mol×K	760.54	Joback Calculated Property
Cp,gas	586.13	J/mol×K	802.73	Joback Calculated Property
Cp,gas	600.62	J/mol×K	844.91	Joback Calculated Property
Cp,gas	614.28	J/mol×K	887.10	Joback Calculated Property
Cp,gas	627.28	J/mol×K	929.28	Joback Calculated Property
Cp,gas	639.81	J/mol×K	971.47	Joback Calculated Property
Cp,gas	652.05	J/mol×K	1013.66	Joback Calculated Property
η	[0.0006539; 0.0014862]	Pa×s	[489.76; 760.54]
η	0.0014862	Pa×s	489.76	Joback Calculated Property
η	0.0012234	Pa×s	534.89	Joback Calculated Property
η	0.0010381	Pa×s	580.02	Joback Calculated Property
η	0.0009019	Pa×s	625.15	Joback Calculated Property
η	0.0007987	Pa×s	670.28	Joback Calculated Property
η	0.0007181	Pa×s	715.41	Joback Calculated Property
η	0.0006539	Pa×s	760.54	Joback Calculated Property
ΔsubH	135.00	kJ/mol	384.50	NIST
ΔvapH	[88.90; 112.90]	kJ/mol	[387.50; 402.00]
ΔvapH	107.80	kJ/mol	387.50	NIST
ΔvapH	88.90	kJ/mol	398.00	NIST
ΔvapH	112.90	kJ/mol	402.00	NIST

Similar Compounds

Find more compounds similar to Benz[a]anthracene, 1,12-dimethyl-.

Sources

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

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