Chemical Properties of 11-Methylbenzo(a)fluorene (CAS 71265-25-3)

InChI

InChI=1S/C18H14/c1-12-14-7-4-5-9-16(14)17-11-10-13-6-2-3-8-15(13)18(12)17/h2-12H,1H3

InChI Key

WQPWQWSJGFCJBF-UHFFFAOYSA-N

Formula

C18H14

SMILES

CC1c2ccccc2-c2ccc3ccccc3c21

Molecular Weight¹

230.30

CAS

71265-25-3

Other Names

• Benzo[a]fluorene, 11-methyl

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	215.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.64	kJ/mol	Joback Calculated Property
ΔvapH°	98.89	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	4.972		Crippen Calculated Property
McVol	186.640	ml/mol	McGowan Calculated Property
Inp	[367.04; 367.04]
Inp	367.04		NIST
Inp	367.04		NIST
Tfus	382.20	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[225.81; 587.19]	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			-1.09830e+02
Coefficient B			1.54392e+00
Coefficient C			-1.26640e-03
Coefficient D			4.19500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	225.81	J/mol×K	273.00	Calculated Property
Cp,gas	296.45	J/mol×K	353.78	Calculated Property
Cp,gas	356.37	J/mol×K	434.56	Calculated Property
Cp,gas	406.90	J/mol×K	515.33	Calculated Property
Cp,gas	449.37	J/mol×K	596.11	Calculated Property
Cp,gas	485.10	J/mol×K	676.89	Calculated Property
Cp,gas	515.42	J/mol×K	757.67	Calculated Property
Cp,gas	541.66	J/mol×K	838.44	Calculated Property
Cp,gas	565.14	J/mol×K	919.22	Calculated Property
Cp,gas	587.19	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0019507; 0.0011608]	Pa×s	[440.70; 664.97]	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			-7.77857e+00
Coefficient B			6.78240e+02
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.			440.70
Temperature range, max.			664.97
η	0.0019507	Pa×s	440.70	Calculated Property
η	0.0017965	Pa×s	465.62	Calculated Property
η	0.0016683	Pa×s	490.54	Calculated Property
η	0.0015605	Pa×s	515.46	Calculated Property
η	0.0014686	Pa×s	540.38	Calculated Property
η	0.0013895	Pa×s	565.30	Calculated Property
η	0.0013209	Pa×s	590.21	Calculated Property
η	0.0012608	Pa×s	615.13	Calculated Property
η	0.0012079	Pa×s	640.05	Calculated Property
η	0.0011608	Pa×s	664.97	Calculated Property

Similar Compounds

Find more compounds similar to 11-Methylbenzo(a)fluorene.

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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