Chemical Properties of Benzacenaphthylene

InChI

InChI=1S/C16H10/c1-2-8-13-12(7-1)14-9-3-5-11-6-4-10-15(13)16(11)14/h1-10H

InChI Key

GVEPBJHOBDJJJI-UHFFFAOYSA-N

Formula

C16H10

SMILES

c1ccc2c(c1)-c1cccc3cccc-2c13

Molecular Weight¹

202.25

• 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).
• 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

Property	Value	Unit	Source
ω	0.5079		Relay (1.0) Calculated Property
ΔfG°	491.18	kJ/mol	Joback Calculated Property
ΔfH°gas	299.76	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.49	kJ/mol	Joback Calculated Property
ΔvapH°	86.81	kJ/mol	Relay (1.0) Calculated Property
IE	7.62	eV	Relay (1.0) Calculated Property
log10WS	-6.26		Relay (1.0) Calculated Property
logPoct/wat	4.487		Crippen Calculated Property
McVol	158.460	ml/mol	McGowan Calculated Property
Pc	3072.75	kPa	Joback Calculated Property
Inp	[349.30; 349.30]
Inp	349.30		NIST
Inp	349.30		NIST
Tboil	656.11	K	Relay (1.0) Calculated Property
Tc	940.58	K	Relay (1.0) Calculated Property
Tfus	387.72	K	Relay (1.0) Calculated Property
Vc	0.629	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[186.01; 475.57]	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			-1.08830e+02
Coefficient B			1.39000e+00
Coefficient C			-1.25940e-03
Coefficient D			4.53800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.01	J/mol×K	273.00	Calculated Property
Cp,gas	245.39	J/mol×K	353.78	Calculated Property
Cp,gas	294.62	J/mol×K	434.56	Calculated Property
Cp,gas	335.13	J/mol×K	515.33	Calculated Property
Cp,gas	368.37	J/mol×K	596.11	Calculated Property
Cp,gas	395.76	J/mol×K	676.89	Calculated Property
Cp,gas	418.74	J/mol×K	757.67	Calculated Property
Cp,gas	438.74	J/mol×K	838.44	Calculated Property
Cp,gas	457.21	J/mol×K	919.22	Calculated Property
Cp,gas	475.57	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020100; 0.0013395]	Pa×s	[425.92; 635.43]	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			-7.44047e+00
Coefficient B			5.24240e+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.			425.92
Temperature range, max.			635.43
η	0.0020100	Pa×s	425.92	Calculated Property
η	0.0018858	Pa×s	449.20	Calculated Property
η	0.0017804	Pa×s	472.48	Calculated Property
η	0.0016900	Pa×s	495.76	Calculated Property
η	0.0016117	Pa×s	519.04	Calculated Property
η	0.0015434	Pa×s	542.31	Calculated Property
η	0.0014832	Pa×s	565.59	Calculated Property
η	0.0014298	Pa×s	588.87	Calculated Property
η	0.0013822	Pa×s	612.15	Calculated Property
η	0.0013395	Pa×s	635.43	Calculated Property

Similar Compounds

Find more compounds similar to Benzacenaphthylene.

Sources

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

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