Chemical Properties of Benz(a)anthracene, 7,10,12-trimethyl- (CAS 35187-27-0)

InChI

InChI=1S/C21H18/c1-13-8-10-17-14(2)18-11-9-16-6-4-5-7-19(16)21(18)15(3)20(17)12-13/h4-12H,1-3H3

InChI Key

YWPUYYJEIZQOCA-UHFFFAOYSA-N

Formula

C21H18

SMILES

Cc1ccc2c(C)c3ccc4ccccc4c3c(C)c2c1

Molecular Weight¹

270.37

CAS

35187-27-0

Other Names

• 7,10,12-Trimethylbenz(a)anthracene

• 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).
• 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[283.47; 696.66]	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			-7.29400e+01
Coefficient B			1.61136e+00
Coefficient C			-1.22476e-03
Coefficient D			3.83000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	283.47	J/mol×K	273.00	Calculated Property
Cp,gas	360.79	J/mol×K	353.78	Calculated Property
Cp,gas	427.43	J/mol×K	434.56	Calculated Property
Cp,gas	484.61	J/mol×K	515.33	Calculated Property
Cp,gas	533.52	J/mol×K	596.11	Calculated Property
Cp,gas	575.39	J/mol×K	676.89	Calculated Property
Cp,gas	611.43	J/mol×K	757.67	Calculated Property
Cp,gas	642.85	J/mol×K	838.44	Calculated Property
Cp,gas	670.85	J/mol×K	919.22	Calculated Property
Cp,gas	696.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0013788; 0.0007069]	Pa×s	[513.55; 726.05]	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			-8.86919e+00
Coefficient B			1.17224e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			513.55
Temperature range, max.			726.05
η	0.0013788	Pa×s	513.55	Calculated Property
η	0.0012471	Pa×s	537.16	Calculated Property
η	0.0011377	Pa×s	560.77	Calculated Property
η	0.0010455	Pa×s	584.38	Calculated Property
η	0.0009672	Pa×s	607.99	Calculated Property
η	0.0008999	Pa×s	631.61	Calculated Property
η	0.0008417	Pa×s	655.22	Calculated Property
η	0.0007909	Pa×s	678.83	Calculated Property
η	0.0007463	Pa×s	702.44	Calculated Property
η	0.0007069	Pa×s	726.05	Calculated Property

Similar Compounds

Find more compounds similar to Benz(a)anthracene, 7,10,12-trimethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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