Chemical Properties of Benzo[ghi]fluoranthene (CAS 203-12-3)

InChI

InChI=1S/C18H10/c1-3-11-7-9-13-10-8-12-4-2-6-15-14(5-1)16(11)18(13)17(12)15/h1-10H

InChI Key

YEIHPPOCKIHUQJ-UHFFFAOYSA-N

Formula

C18H10

SMILES

c1cc2c3c(c1)ccc1ccc4cccc-2c4c13

Molecular Weight¹

226.27

CAS

203-12-3

Other Names

• Benzo[mno]fluoranthene
• Benzofluoranthene
• 1,10-Benzofluoranthrene
• 1,12-Benzfluoranthene
• Benz-(m,n,o)-fluoranthene

• 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_fusH : Enthalpy of fusion at a given temperature (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.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• 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
ΔfH°gas	340.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.28	kJ/mol	Joback Calculated Property
ΔvapH°	101.48	kJ/mol	Relay (1.0) Calculated Property
IE	7.52	eV	Relay (1.0) Calculated Property
log10WS	-7.03		Relay (1.0) Calculated Property
logPoct/wat	5.127		Crippen Calculated Property
McVol	171.480	ml/mol	McGowan Calculated Property
Pc	2915.53	kPa	Joback Calculated Property
Inp	[385.75; 2438.00]
Inp	Outlier 2438.00		NIST
Inp	Outlier 2431.50		NIST
Inp	Outlier 2410.80		NIST
Inp	390.43		NIST
Inp	390.50		NIST
Inp	391.95		NIST
Inp	393.40		NIST
Inp	390.00		NIST
Inp	389.60		NIST
Inp	390.90		NIST
Inp	391.02		NIST
Inp	390.28		NIST
Inp	390.83		NIST
Inp	390.85		NIST
Inp	390.61		NIST
Inp	390.90		NIST
Inp	390.28		NIST
Inp	390.63		NIST
Inp	391.06		NIST
Inp	389.92		NIST
Inp	389.60		NIST
Inp	390.18		NIST
Inp	389.92		NIST
Inp	390.18		NIST
Inp	390.28		NIST
Inp	389.60		NIST
Inp	388.20		NIST
Inp	389.69		NIST
Inp	389.60		NIST
Inp	389.60		NIST
Inp	390.90		NIST
Inp	391.10		NIST
Inp	390.90		NIST
Inp	389.67		NIST
Inp	390.96		NIST
Inp	388.58		NIST
Inp	389.64		NIST
Inp	389.60		NIST
Inp	389.60		NIST
Inp	391.21		NIST
Inp	391.41		NIST
Inp	391.60		NIST
Inp	389.60		NIST
Inp	385.75		NIST
Inp	389.11		NIST
Inp	389.60		NIST
Inp	389.97		NIST
Inp	391.00		NIST
Inp	390.18		NIST
Inp	388.20		NIST
Inp	391.10		NIST
Inp	389.64		NIST
Inp	391.60		NIST
Inp	389.97		NIST
Inp	Outlier 2431.50		NIST
Inp	390.00		NIST
Inp	390.83		NIST
Inp	390.63		NIST
Inp	390.43		NIST
Inp	Outlier 2438.00		NIST
Tboil	715.52	K	Relay (1.0) Calculated Property
Tc	1027.89	K	Relay (1.0) Calculated Property
Tfus	424.40 ± 0.40	K	NIST
Vc	0.705	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[0.44; 11.80]	kJ/mol	[352.70; 424.00]
ΔfusH	0.44	kJ/mol	352.70	NIST
ΔfusH	0.88	kJ/mol	402.10	NIST
ΔfusH	5.35	kJ/mol	402.80	NIST
ΔfusH	11.80	kJ/mol	424.00	NIST
ΔfusH	11.80	kJ/mol	424.00	NIST
ΔfusS	[1.23; 27.83]	J/mol×K	[352.70; 424.00]
ΔfusS	1.23	J/mol×K	352.70	NIST
ΔfusS	2.19	J/mol×K	402.10	NIST
ΔfusS	13.28	J/mol×K	402.80	NIST
ΔfusS	27.83	J/mol×K	424.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[206.25; 512.67]	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			-1.25330e+02
Coefficient B			1.59200e+00
Coefficient C			-1.54340e-03
Coefficient D			5.89400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	206.25	J/mol×K	273.00	Calculated Property
Cp,gas	270.81	J/mol×K	353.78	Calculated Property
Cp,gas	323.40	J/mol×K	434.56	Calculated Property
Cp,gas	365.87	J/mol×K	515.33	Calculated Property
Cp,gas	400.09	J/mol×K	596.11	Calculated Property
Cp,gas	427.92	J/mol×K	676.89	Calculated Property
Cp,gas	451.23	J/mol×K	757.67	Calculated Property
Cp,gas	471.88	J/mol×K	838.44	Calculated Property
Cp,gas	491.74	J/mol×K	919.22	Calculated Property
Cp,gas	512.67	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043961; 0.0042705]	Pa×s	[424.40; 679.64]	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			-5.50424e+00
Coefficient B			3.27600e+01
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.			424.40
Temperature range, max.			679.64
η	0.0043961	Pa×s	424.40	Calculated Property
η	0.0043749	Pa×s	452.76	Calculated Property
η	0.0043562	Pa×s	481.12	Calculated Property
η	0.0043398	Pa×s	509.48	Calculated Property
η	0.0043251	Pa×s	537.84	Calculated Property
η	0.0043119	Pa×s	566.20	Calculated Property
η	0.0043000	Pa×s	594.56	Calculated Property
η	0.0042892	Pa×s	622.92	Calculated Property
η	0.0042794	Pa×s	651.28	Calculated Property
η	0.0042705	Pa×s	679.64	Calculated Property

Similar Compounds

Find more compounds similar to Benzo[ghi]fluoranthene.

Sources

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

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