Chemical Properties of Benz[j]aceanthrylene, 3-methyl-

InChI

InChI=1S/C21H14/c1-13-6-7-15-12-20-17-5-3-2-4-14(17)8-9-18(20)19-11-10-16(13)21(15)19/h2-12H,1H3

InChI Key

HUIUEHNRLHPDBT-UHFFFAOYSA-N

Formula

C21H14

SMILES

Cc1ccc2cc3c(ccc4ccccc43)c3c2c1C=C3

Molecular Weight¹

266.34

Other Names

• 1,2-Dehydro-3-methylcholanthrene
• 3-Methylcholanthrylene
• 3-Methylbenz(j)aceanthrylene
• Dehydro-3-methylcholanthrene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[256.18; 636.66]	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			-1.16220e+02
Coefficient B			1.74232e+00
Coefficient C			-1.53404e-03
Coefficient D			5.44600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	256.18	J/mol×K	273.00	Calculated Property
Cp,gas	332.29	J/mol×K	353.78	Calculated Property
Cp,gas	395.92	J/mol×K	434.56	Calculated Property
Cp,gas	448.79	J/mol×K	515.33	Calculated Property
Cp,gas	492.64	J/mol×K	596.11	Calculated Property
Cp,gas	529.17	J/mol×K	676.89	Calculated Property
Cp,gas	560.12	J/mol×K	757.67	Calculated Property
Cp,gas	587.20	J/mol×K	838.44	Calculated Property
Cp,gas	612.14	J/mol×K	919.22	Calculated Property
Cp,gas	636.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031877; 0.0023735]	Pa×s	[540.01; 737.43]	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			-6.85022e+00
Coefficient B			5.94960e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			540.01
Temperature range, max.			737.43
η	0.0031877	Pa×s	540.01	Calculated Property
η	0.0030535	Pa×s	561.95	Calculated Property
η	0.0029344	Pa×s	583.88	Calculated Property
η	0.0028281	Pa×s	605.82	Calculated Property
η	0.0027327	Pa×s	627.75	Calculated Property
η	0.0026467	Pa×s	649.69	Calculated Property
η	0.0025687	Pa×s	671.62	Calculated Property
η	0.0024977	Pa×s	693.56	Calculated Property
η	0.0024329	Pa×s	715.49	Calculated Property
η	0.0023735	Pa×s	737.43	Calculated Property

Similar Compounds

Find more compounds similar to Benz[j]aceanthrylene, 3-methyl-.

Sources

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

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