Chemical Properties of Fluoranthene (CAS 206-44-0)

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

CAS

206-44-0

Other Names

• 1,2-(1,8-NAPHTHYLENE)-BENZENE
• 1,2-(1,8-Naphthalene)benzene
• 1,2-(1,8-Naphthalenediyl)benzene
• 1,2-(1,8-Naphthylene)benzene
• 1,2-Benzacenaphthene
• Benzene, 1,2-(1,8-naphthalenediyl)-
• Benzene, 1,2-(1,8-naphthylene)-
• Benzo[jk]fluorene
• Fluoranthrene
• Idryl
• NSC 6803
• Rcra waste number U120

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,solid : Solid phase heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• EA : Electron affinity (eV).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_sub : Sublimation pressure (kPa).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_{solid,1 bar} : Solid phase molar entropy at standard conditions (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (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
PAff	[826.80; 828.60]	kJ/mol
PAff	828.60	kJ/mol	NIST
PAff	826.80	kJ/mol	NIST
BasG	[799.60; 800.90]	kJ/mol
BasG	800.90	kJ/mol	NIST
BasG	799.60	kJ/mol	NIST
ΔcH°solid	[-7917.80; -7915.20]	kJ/mol
ΔcH°solid	-7915.20 ± 0.40	kJ/mol	NIST
ΔcH°solid	-7917.80 ± 5.40	kJ/mol	NIST
EA	0.63	eV	NIST
ΔfG°	491.18	kJ/mol	Joback Calculated Property
ΔfH°gas	[289.80; 292.00]	kJ/mol
ΔfH°gas	291.40 ± 4.00	kJ/mol	NIST
ΔfH°gas	289.80	kJ/mol	NIST
ΔfH°gas	292.00 ± 2.20	kJ/mol	NIST
ΔfH°solid	[189.80; 192.00]	kJ/mol
ΔfH°solid	190.20 ± 2.80	kJ/mol	NIST
ΔfH°solid	189.80 ± 0.40	kJ/mol	NIST
ΔfH°solid	192.00 ± 5.40	kJ/mol	NIST
ΔfusH°	24.49	kJ/mol	Joback Calculated Property
ΔsubH°	[99.20; 102.00]	kJ/mol
ΔsubH°	101.20 ± 2.80	kJ/mol	NIST
ΔsubH°	99.20 ± 0.80	kJ/mol	NIST
ΔsubH°	99.20 ± 0.80	kJ/mol	NIST
ΔsubH°	102.00 ± 2.00	kJ/mol	NIST
ΔsubH°	100.00	kJ/mol	NIST
ΔvapH°	86.80 ± 1.30	kJ/mol	NIST
IE	[7.72; 7.95]	eV
IE	7.90 ± 0.10	eV	NIST
IE	7.90 ± 0.10	eV	NIST
IE	7.95 ± 0.04	eV	NIST
IE	7.80 ± 0.01	eV	NIST
IE	7.72	eV	NIST
log10WS	[-6.00; -5.95]
log10WS	-5.95		Aq. Solubility Prediction
log10WS	-6.00		Estimated Solubility
logPoct/wat	4.487		Crippen Calculated Property
McVol	158.460	ml/mol	McGowan Calculated Property
Pc	3072.75	kPa	Joback Calculated Property
Inp	[337.00; 2098.00]
Inp	2057.00		NIST
Inp	2091.00		NIST
Inp	2091.00		NIST
Inp	2051.00		NIST
Inp	2091.00		NIST
Inp	2053.50		NIST
Inp	2060.10		NIST
Inp	2060.10		NIST
Inp	2032.60		NIST
Inp	2060.10		NIST
Inp	2076.50		NIST
Inp	2038.90		NIST
Inp	2062.30		NIST
Inp	2085.00		NIST
Inp	2032.60		NIST
Inp	2060.10		NIST
Inp	2076.50		NIST
Inp	2060.10		NIST
Inp	2060.10		NIST
Inp	2084.00		NIST
Inp	2011.00		NIST
Inp	2009.00		NIST
Inp	2009.00		NIST
Inp	2009.00		NIST
Inp	2009.00		NIST
Inp	2009.00		NIST
Inp	2023.00		NIST
Inp	2023.00		NIST
Inp	2023.00		NIST
Inp	2023.00		NIST
Inp	2030.00		NIST
Inp	2030.00		NIST
Inp	2031.00		NIST
Inp	2037.00		NIST
Inp	2042.00		NIST
Inp	2044.00		NIST
Inp	2020.00		NIST
Inp	2020.45		NIST
Inp	2068.42		NIST
Inp	2084.00		NIST
Inp	2037.00		NIST
Inp	2015.00		NIST
Inp	2098.00		NIST
Inp	2089.00		NIST
Inp	2052.00		NIST
Inp	2053.00		NIST
Inp	2057.00		NIST
Inp	2058.00		NIST
Inp	2060.00		NIST
Inp	2061.00		NIST
Inp	2079.00		NIST
Inp	2080.00		NIST
Inp	2031.00		NIST
Inp	2045.00		NIST
Inp	2062.00		NIST
Inp	2028.00		NIST
Inp	2006.00		NIST
Inp	2084.00		NIST
Inp	2085.00		NIST
Inp	2030.00		NIST
Inp	2091.00		NIST
Inp	341.94		NIST
Inp	340.99		NIST
Inp	343.44		NIST
Inp	343.15		NIST
Inp	342.27		NIST
Inp	343.16		NIST
Inp	344.01		NIST
Inp	344.30		NIST
Inp	337.00		NIST
Inp	337.00		NIST
Inp	344.01		NIST
Inp	340.90		NIST
Inp	344.85		NIST
Inp	344.49		NIST
Inp	344.78		NIST
Inp	344.83		NIST
Inp	344.99		NIST
Inp	344.49		NIST
Inp	344.51		NIST
Inp	344.56		NIST
Inp	344.60		NIST
Inp	344.64		NIST
Inp	344.67		NIST
Inp	344.74		NIST
Inp	344.75		NIST
Inp	344.54		NIST
Inp	344.68		NIST
Inp	344.80		NIST
Inp	344.80		NIST
Inp	344.67		NIST
Inp	344.85		NIST
Inp	344.80		NIST
Inp	345.00		NIST
Inp	344.55		NIST
Inp	344.62		NIST
Inp	344.35		NIST
Inp	344.49		NIST
Inp	344.68		NIST
Inp	344.43		NIST
Inp	340.66		NIST
Inp	344.56		NIST
Inp	344.70		NIST
Inp	344.51		NIST
Inp	344.01		NIST
Inp	344.60		NIST
Inp	344.96		NIST
Inp	344.49		NIST
Inp	344.96		NIST
Inp	340.10		NIST
Inp	338.20		NIST
Inp	389.98		NIST
Inp	340.21		NIST
Inp	340.44		NIST
Inp	338.50		NIST
Inp	344.00		NIST
Inp	344.90		NIST
Inp	340.35		NIST
Inp	340.44		NIST
Inp	342.65		NIST
Inp	343.25		NIST
Inp	343.31		NIST
Inp	344.01		NIST
Inp	344.51		NIST
Inp	343.24		NIST
Inp	344.60		NIST
Inp	340.11		NIST
Inp	344.01		NIST
Inp	345.32		NIST
Inp	344.60		NIST
Inp	340.05		NIST
Inp	340.88		NIST
Inp	341.74		NIST
Inp	342.74		NIST
Inp	343.25		NIST
Inp	343.65		NIST
Inp	344.01		NIST
Inp	345.00		NIST
Inp	341.94		NIST
Inp	343.16		NIST
Inp	2098.00		NIST
Inp	2058.00		NIST
Inp	2031.00		NIST
Inp	344.30		NIST
Inp	344.85		NIST
Inp	344.49		NIST
Inp	344.67		NIST
Inp	344.80		NIST
Inp	345.00		NIST
Inp	344.68		NIST
Inp	344.51		NIST
Inp	2062.00		NIST
Inp	2030.00		NIST
Inp	2020.45		NIST
S°solid,1 bar	230.58	J/mol×K	NIST
Tboil	656.11	K	Relay (1.0) Calculated Property
Tc	940.11	K	Relay (1.0) Calculated Property
Tfus	[381.00; 386.10]	K
Tfus	381.10	K	Aq. Solubility Prediction
Tfus	381.50	K	Polar Mixed-Solid Solute Systems in Supercritical Carbon Dioxide: Entrainer Effect and Its Influence on Solubility and Selectivity
Tfus	381.00 ± 0.20	K	NIST
Tfus	386.10 ± 3.00	K	NIST
Tfus	385.20 ± 3.00	K	NIST
Tfus	385.40 ± 3.00	K	NIST
Tfus	383.45 ± 1.00	K	NIST
Ttriple	[383.33; 383.34]	K
Ttriple	383.34 ± 0.01	K	NIST
Ttriple	383.33 ± 0.01	K	NIST
Vc	0.630	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[387.64; 454.56]	J/mol×K	[651.36; 907.48]
Cp,gas	387.64	J/mol×K	651.36	Joback Calculated Property
Cp,gas	400.96	J/mol×K	694.05	Joback Calculated Property
Cp,gas	413.12	J/mol×K	736.73	Joback Calculated Property
Cp,gas	424.36	J/mol×K	779.42	Joback Calculated Property
Cp,gas	434.86	J/mol×K	822.10	Joback Calculated Property
Cp,gas	444.86	J/mol×K	864.79	Joback Calculated Property
Cp,gas	454.56	J/mol×K	907.48	Joback Calculated Property
Cp,solid	230.25	J/mol×K	298.15	NIST
η	[0.0013128; 0.0020100]	Pa×s	[425.92; 651.36]
η	0.0020100	Pa×s	425.92	Joback Calculated Property
η	0.0018191	Pa×s	463.49	Joback Calculated Property
η	0.0016712	Pa×s	501.07	Joback Calculated Property
η	0.0015536	Pa×s	538.64	Joback Calculated Property
η	0.0014580	Pa×s	576.21	Joback Calculated Property
η	0.0013791	Pa×s	613.79	Joback Calculated Property
η	0.0013128	Pa×s	651.36	Joback Calculated Property
ΔfusH	[18.73; 18.74]	kJ/mol	[383.36; 383.40]
ΔfusH	18.73	kJ/mol	383.36	NIST
ΔfusH	18.74	kJ/mol	383.40	NIST
ΔsubH	[84.60; 102.60]	kJ/mol	[303.00; 383.00]
ΔsubH	84.60 ± 0.90	kJ/mol	303.00	NIST
ΔsubH	102.60	kJ/mol	328.00	NIST
ΔsubH	102.00 ± 2.00	kJ/mol	340.50	NIST
ΔsubH	98.30	kJ/mol	383.00	NIST
ΔvapH	[62.20; 79.30]	kJ/mol	[398.00; 580.50]
ΔvapH	79.30	kJ/mol	398.00	NIST
ΔvapH	77.40	kJ/mol	398.00	NIST
ΔvapH	62.20	kJ/mol	580.50	NIST
Psub	[3.96e-05; 1.05e-03]	kPa	[326.80; 359.20]
Psub	3.96e-05	kPa	326.80	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	4.11e-05	kPa	326.90	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	6.16e-05	kPa	331.00	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	6.32e-05	kPa	331.80	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.17e-04	kPa	336.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.29e-04	kPa	338.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.31e-04	kPa	338.80	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.44e-04	kPa	338.90	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.54e-04	kPa	340.20	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	2.06e-04	kPa	342.50	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	2.48e-04	kPa	343.90	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	2.58e-04	kPa	345.30	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.30e-04	kPa	348.00	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.41e-04	kPa	348.50	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	4.63e-04	kPa	350.90	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	5.80e-04	kPa	354.10	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.05e-03	kPa	359.20	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
ΔfusS	48.85	J/mol×K	383.36	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[483.47; 698.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.59674e+01
Coefficient B			-7.14694e+03
Coefficient C			-2.76650e+01
Temperature range, min.			483.47
Temperature range, max.			698.36
Pvap	1.33	kPa	483.47	Calculated Property
Pvap	2.91	kPa	507.35	Calculated Property
Pvap	5.90	kPa	531.22	Calculated Property
Pvap	11.21	kPa	555.10	Calculated Property
Pvap	20.16	kPa	578.98	Calculated Property
Pvap	34.54	kPa	602.85	Calculated Property
Pvap	56.67	kPa	626.73	Calculated Property
Pvap	89.53	kPa	650.61	Calculated Property
Pvap	136.74	kPa	674.48	Calculated Property
Pvap	202.64	kPa	698.36	Calculated Property
Pvap	[0.02; 2603.70]	kPa	[383.15; 905.00]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			1.00473e+02
Coefficient B			-1.29109e+04
Coefficient C			-1.20342e+01
Coefficient D			4.37832e-06
Temperature range, min.			383.15
Temperature range, max.			905.00
Pvap	0.02	kPa	383.15	Calculated Property
Pvap	0.29	kPa	441.13	Calculated Property
Pvap	2.53	kPa	499.12	Calculated Property
Pvap	13.03	kPa	557.10	Calculated Property
Pvap	47.38	kPa	615.08	Calculated Property
Pvap	135.55	kPa	673.07	Calculated Property
Pvap	327.93	kPa	731.05	Calculated Property
Pvap	704.87	kPa	789.03	Calculated Property
Pvap	1394.28	kPa	847.02	Calculated Property
Pvap	2603.70	kPa	905.00	Calculated Property

Similar Compounds

Find more compounds similar to Fluoranthene.

Mixtures

• Fluoranthene + Benzoic acid + Carbon dioxide
• Fluoranthene + Water

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Determination of Henry's Law Constant Using Diffusion in Air and Water Boundary Layers
• Polar Mixed-Solid Solute Systems in Supercritical Carbon Dioxide: Entrainer Effect and Its Influence on Solubility and Selectivity
• Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.