Chemical Properties of Benz[j]aceanthrylen-1-ol, 1,2-dihydro-3-methyl-

InChI

InChI=1S/C21H16O/c1-12-6-7-14-10-18-15-5-3-2-4-13(15)8-9-16(18)21-19(22)11-17(12)20(14)21/h2-10,19,22H,11H2,1H3

InChI Key

CHNZFZQGTXDBFI-UHFFFAOYSA-N

Formula

C21H16O

SMILES

Cc1ccc2cc3c(ccc4ccccc43)c3c2c1CC3O

Molecular Weight¹

284.36

Other Names

• 1-Cholanthrenol, 3-methyl-
• 1-Hydroxy-3-methylcholanthrene
• 15-Hydroxy-20-methylcholanthrene
• 3-Methylcholanthren-1-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[277.42; 693.29]	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			-1.12770e+02
Coefficient B			1.80582e+00
Coefficient C			-1.52176e-03
Coefficient D			5.22000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	277.42	J/mol×K	273.00	Calculated Property
Cp,gas	358.74	J/mol×K	353.78	Calculated Property
Cp,gas	427.43	J/mol×K	434.56	Calculated Property
Cp,gas	485.14	J/mol×K	515.33	Calculated Property
Cp,gas	533.52	J/mol×K	596.11	Calculated Property
Cp,gas	574.22	J/mol×K	676.89	Calculated Property
Cp,gas	608.90	J/mol×K	757.67	Calculated Property
Cp,gas	639.20	J/mol×K	838.44	Calculated Property
Cp,gas	666.78	J/mol×K	919.22	Calculated Property
Cp,gas	693.29	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017377; 0.0007257]	Pa×s	[595.83; 784.57]	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			-9.98477e+00
Coefficient B			2.16262e+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.			595.83
Temperature range, max.			784.57
η	0.0017377	Pa×s	595.83	Calculated Property
η	0.0015360	Pa×s	616.80	Calculated Property
η	0.0013687	Pa×s	637.77	Calculated Property
η	0.0012287	Pa×s	658.74	Calculated Property
η	0.0011103	Pa×s	679.71	Calculated Property
η	0.0010095	Pa×s	700.69	Calculated Property
η	0.0009229	Pa×s	721.66	Calculated Property
η	0.0008480	Pa×s	742.63	Calculated Property
η	0.0007828	Pa×s	763.60	Calculated Property
η	0.0007257	Pa×s	784.57	Calculated Property

Similar Compounds

Find more compounds similar to Benz[j]aceanthrylen-1-ol, 1,2-dihydro-3-methyl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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