Chemical Properties of 7-Butyl-12-methylbenz[a]anthracene

InChI

InChI=1S/C23H22/c1-3-4-10-21-20-13-8-7-11-18(20)16(2)23-19-12-6-5-9-17(19)14-15-22(21)23/h5-9,11-15H,3-4,10H2,1-2H3

InChI Key

PBRXQWATBIWVFV-UHFFFAOYSA-N

Formula

C23H22

SMILES

CCCCc1c2ccccc2c(C)c2c1ccc1ccccc12

Molecular Weight¹

298.43

• 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).
• 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

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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	[323.35; 802.88]	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			-8.90570e+01
Coefficient B			1.86084e+00
Coefficient C			-1.40060e-03
Coefficient D			4.31700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	323.35	J/mol×K	273.00	Calculated Property
Cp,gas	413.08	J/mol×K	353.78	Calculated Property
Cp,gas	490.52	J/mol×K	434.56	Calculated Property
Cp,gas	557.02	J/mol×K	515.33	Calculated Property
Cp,gas	613.96	J/mol×K	596.11	Calculated Property
Cp,gas	662.69	J/mol×K	676.89	Calculated Property
Cp,gas	704.58	J/mol×K	757.67	Calculated Property
Cp,gas	741.00	J/mol×K	838.44	Calculated Property
Cp,gas	773.31	J/mol×K	919.22	Calculated Property
Cp,gas	802.88	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0014075; 0.0006270]	Pa×s	[523.57; 747.84]	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			-9.26247e+00
Coefficient B			1.41182e+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.			523.57
Temperature range, max.			747.84
η	0.0014075	Pa×s	523.57	Calculated Property
η	0.0012452	Pa×s	548.49	Calculated Property
η	0.0011134	Pa×s	573.41	Calculated Property
η	0.0010049	Pa×s	598.33	Calculated Property
η	0.0009144	Pa×s	623.25	Calculated Property
η	0.0008382	Pa×s	648.16	Calculated Property
η	0.0007732	Pa×s	673.08	Calculated Property
η	0.0007174	Pa×s	698.00	Calculated Property
η	0.0006691	Pa×s	722.92	Calculated Property
η	0.0006270	Pa×s	747.84	Calculated Property

Similar Compounds

Find more compounds similar to 7-Butyl-12-methylbenz[a]anthracene.

Sources

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

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