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_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_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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
ΔfG°	599.28	kJ/mol	Joback Calculated Property
ΔfH°gas	460.63	kJ/mol	Joback Calculated Property
ΔfusH°	29.28	kJ/mol	Joback Calculated Property
ΔvapH°	65.21	kJ/mol	Joback Calculated Property
log10WS	-7.73		Crippen 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	390.43		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	390.00		NIST
Inp	390.83		NIST
Inp	390.63		NIST
Inp	Outlier 2431.50		NIST
Inp	Outlier 2438.00		NIST
Tboil	713.38	K	Joback Calculated Property
Tc	970.65	K	Joback Calculated Property
Tfus	424.40 ± 0.40	K	NIST
Vc	0.683	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[438.90; 504.82]	J/mol×K	[713.38; 970.65]
T(K) Ideal gas heat capacity (J/mol×K) 440 450 460 470 480 490 500 510 800 900
Cp,gas	438.90	J/mol×K	713.38	Joback Calculated Property
Cp,gas	450.85	J/mol×K	756.26	Joback Calculated Property
Cp,gas	462.05	J/mol×K	799.14	Joback Calculated Property
Cp,gas	472.76	J/mol×K	842.01	Joback Calculated Property
Cp,gas	483.28	J/mol×K	884.89	Joback Calculated Property
Cp,gas	493.87	J/mol×K	927.77	Joback Calculated Property
Cp,gas	504.82	J/mol×K	970.65	Joback Calculated Property
η	[0.0042607; 0.0043451]	Pa×s	[499.96; 713.38]
T(K) Dynamic viscosity (Pa×s) 4.26e-3 4.28e-3 4.30e-3 4.32e-3 4.34e-3 500 600 700
η	0.0043451	Pa×s	499.96	Joback Calculated Property
η	0.0043262	Pa×s	535.53	Joback Calculated Property
η	0.0043098	Pa×s	571.10	Joback Calculated Property
η	0.0042953	Pa×s	606.67	Joback Calculated Property
η	0.0042825	Pa×s	642.24	Joback Calculated Property
η	0.0042710	Pa×s	677.81	Joback Calculated Property
η	0.0042607	Pa×s	713.38	Joback Calculated Property
ΔfusH	[0.44; 11.80]	kJ/mol	[352.70; 424.00]
T(K) Enthalpy of fusion at a given temperature (kJ/mol) 0 2 4 6 8 10 12 360 380 400 420
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

Similar Compounds

Find more compounds similar to Benzo[ghi]fluoranthene.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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