Chemical Properties of Acenaphthylene (CAS 208-96-8)

InChI

InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H

InChI Key

HXGDTGSAIMULJN-UHFFFAOYSA-N

Formula

C12H8

SMILES

C1=Cc2cccc3cccc1c23

Molecular Weight¹

152.19

CAS

208-96-8

Other Names

• Acenaphthalene
• Acenapthylene
• Cyclopenta[de]naphthalene

• 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).
• 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.
• I : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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	0.3996		Relay (1.0) Calculated Property
PAff	861.10	kJ/mol	NIST
BasG	832.60	kJ/mol	NIST
ΔcH°solid	[-6058.00; -6052.20]	kJ/mol
ΔcH°solid	-6058.00 ± 4.00	kJ/mol	NIST
ΔcH°solid	-6052.20 ± 4.60	kJ/mol	NIST
EA	0.40 ± 0.03	eV	NIST
ΔfG°	360.48	kJ/mol	Joback Calculated Property
ΔfH°gas	[258.00; 264.00]	kJ/mol
ΔfH°gas	263.20 ± 3.70	kJ/mol	NIST
ΔfH°gas	264.00	kJ/mol	NIST
ΔfH°gas	258.00 ± 5.90	kJ/mol	NIST
ΔfH°solid	[187.00; 193.00]	kJ/mol
ΔfH°solid	190.80 ± 3.50	kJ/mol	NIST
ΔfH°solid	193.00 ± 4.00	kJ/mol	NIST
ΔfH°solid	187.00 ± 4.60	kJ/mol	NIST
ΔfusH°	11.73	kJ/mol	Recommended vapor pressures for acenaphthylene, fluoranthene, and fluorene
ΔsubH°	[70.00; 73.00]	kJ/mol
ΔsubH°	72.50 ± 1.20	kJ/mol	NIST
ΔsubH°	70.00	kJ/mol	NIST
ΔsubH°	73.00 ± 0.30	kJ/mol	NIST
ΔsubH°	73.00 ± 0.40	kJ/mol	NIST
ΔsubH°	71.00 ± 1.00	kJ/mol	NIST
ΔsubH°	71.00	kJ/mol	NIST
ΔvapH°	[64.60; 69.10]	kJ/mol
ΔvapH°	64.60 ± 5.80	kJ/mol	NIST
ΔvapH°	69.10 ± 2.20	kJ/mol	NIST
IE	[8.02; 8.22]	eV
IE	8.12 ± 0.10	eV	NIST
IE	8.22 ± 0.04	eV	NIST
IE	8.02 ± 0.01	eV	NIST
log10WS	[-3.96; -3.96]
log10WS	-3.96		Aq. Solubility Prediction
log10WS	-3.96		Estimated Solubility
logPoct/wat	3.324		Crippen Calculated Property
McVol	121.560	ml/mol	McGowan Calculated Property
Pc	3673.09	kPa	Joback Calculated Property
Inp	[240.45; 1495.00]
Inp	1424.62		NIST
Inp	1457.55		NIST
Inp	1495.00		NIST
Inp	1460.00		NIST
Inp	1408.90		NIST
Inp	1409.00		NIST
Inp	1456.00		NIST
Inp	1426.00		NIST
Inp	1425.03		NIST
Inp	1413.00		NIST
Inp	1418.54		NIST
Inp	1453.37		NIST
Inp	1470.00		NIST
Inp	1419.00		NIST
Inp	1428.00		NIST
Inp	1470.00		NIST
Inp	1454.00		NIST
Inp	1450.70		NIST
Inp	1453.00		NIST
Inp	1455.00		NIST
Inp	1422.00		NIST
Inp	1447.00		NIST
Inp	1403.00		NIST
Inp	1438.00		NIST
Inp	1460.00		NIST
Inp	1466.00		NIST
Inp	1433.00		NIST
Inp	1434.00		NIST
Inp	1434.00		NIST
Inp	1483.00		NIST
Inp	1445.00		NIST
Inp	247.80		NIST
Inp	244.63		NIST
Inp	247.40		NIST
Inp	248.47		NIST
Inp	248.88		NIST
Inp	248.48		NIST
Inp	248.29		NIST
Inp	247.93		NIST
Inp	245.40		NIST
Inp	245.40		NIST
Inp	249.00		NIST
Inp	249.04		NIST
Inp	245.83		NIST
Inp	245.36		NIST
Inp	249.19		NIST
Inp	248.90		NIST
Inp	247.82		NIST
Inp	244.79		NIST
Inp	247.65		NIST
Inp	244.63		NIST
Inp	248.75		NIST
Inp	243.59		NIST
Inp	242.46		NIST
Inp	246.92		NIST
Inp	244.63		NIST
Inp	249.20		NIST
Inp	248.27		NIST
Inp	247.65		NIST
Inp	248.27		NIST
Inp	249.20		NIST
Inp	240.45		NIST
Inp	240.53		NIST
Inp	244.60		NIST
Inp	247.40		NIST
Inp	247.70		NIST
Inp	247.40		NIST
Inp	240.52		NIST
Inp	240.53		NIST
Inp	244.63		NIST
Inp	244.63		NIST
Inp	253.15		NIST
Inp	249.50		NIST
Inp	244.00		NIST
Inp	244.63		NIST
Inp	247.80		NIST
Inp	248.48		NIST
Inp	249.00		NIST
Inp	248.90		NIST
Inp	248.75		NIST
Inp	249.20		NIST
Inp	240.45		NIST
Inp	247.40		NIST
Inp	253.15		NIST
Inp	1470.00		NIST
Inp	1422.00		NIST
Inp	1428.00		NIST
Inp	1418.54		NIST
Inp	1460.00		NIST
Inp	1483.00		NIST
Inp	1425.03		NIST
I	[249.77; 2193.00]
I	2193.00		NIST
I	2188.00		NIST
I	249.77		NIST
Tboil	[543.00; 553.20]	K
Tboil	553.20	K	NIST
Tboil	543.00 ± 5.00	K	NIST
Tc	832.51	K	Relay (1.0) Calculated Property
Tfus	[362.60; 366.40]	K
Tfus	364.90	K	Aq. Solubility Prediction
Tfus	365.50 ± 0.50	K	NIST
Tfus	362.60 ± 0.20	K	NIST
Tfus	366.40 ± 0.30	K	NIST
Tfus	365.70 ± 2.00	K	NIST
Vc	0.472	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[261.76; 323.61]	J/mol×K	[535.88; 779.55]
Cp,gas	261.76	J/mol×K	535.88	Joback Calculated Property
Cp,gas	274.62	J/mol×K	576.49	Joback Calculated Property
Cp,gas	286.28	J/mol×K	617.10	Joback Calculated Property
Cp,gas	296.86	J/mol×K	657.72	Joback Calculated Property
Cp,gas	306.52	J/mol×K	698.33	Joback Calculated Property
Cp,gas	315.39	J/mol×K	738.94	Joback Calculated Property
Cp,gas	323.61	J/mol×K	779.55	Joback Calculated Property
Cp,solid	166.40	J/mol×K	298.00	NIST
η	[0.0007329; 0.0012738]	Pa×s	[335.62; 535.88]
η	0.0012738	Pa×s	335.62	Joback Calculated Property
η	0.0011143	Pa×s	369.00	Joback Calculated Property
η	0.0009967	Pa×s	402.37	Joback Calculated Property
η	0.0009068	Pa×s	435.75	Joback Calculated Property
η	0.0008362	Pa×s	469.13	Joback Calculated Property
η	0.0007794	Pa×s	502.50	Joback Calculated Property
η	0.0007329	Pa×s	535.88	Joback Calculated Property
ΔfusH	[6.94; 10.96]	kJ/mol	[362.00; 362.60]
ΔfusH	10.96	kJ/mol	362.00	NIST
ΔfusH	6.94	kJ/mol	362.60	NIST
ΔsubH	[71.10; 77.20]	kJ/mol	[280.50; 383.00]
ΔsubH	73.20 ± 0.50	kJ/mol	280.50	NIST
ΔsubH	71.10 ± 1.30	kJ/mol	302.00	NIST
ΔsubH	77.20	kJ/mol	383.00	NIST
Psub	[4.88e-04; 4.14e-03]	kPa	[297.40; 319.70]
Psub	4.88e-04	kPa	297.40	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	5.31e-04	kPa	297.60	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.05e-03	kPa	304.60	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.08e-03	kPa	304.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.14e-03	kPa	306.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	1.82e-03	kPa	311.90	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.45e-03	kPa	314.80	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.45e-03	kPa	318.50	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	3.47e-03	kPa	318.60	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
Psub	4.14e-03	kPa	319.70	Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
ΔfusS	19.14	J/mol×K	362.60	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[403.50; 499.38]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			2.17908e+01
Coefficient B			-6.76309e+03
Coefficient C			-8.89840e+01
Temperature range, min.			403.50
Temperature range, max.			499.38
Pvap	1.33	kPa	403.50	Calculated Property
Pvap	2.70	kPa	414.15	Calculated Property
Pvap	5.22	kPa	424.81	Calculated Property
Pvap	9.69	kPa	435.46	Calculated Property
Pvap	17.35	kPa	446.11	Calculated Property
Pvap	30.02	kPa	456.77	Calculated Property
Pvap	50.38	kPa	467.42	Calculated Property
Pvap	82.18	kPa	478.07	Calculated Property
Pvap	130.61	kPa	488.73	Calculated Property
Pvap	202.63	kPa	499.38	Calculated Property

Similar Compounds

Find more compounds similar to Acenaphthylene.

Mixtures

• Ethanol + Acenaphthylene
• Isopropyl Alcohol + Acenaphthylene
• 1-Butanol + Acenaphthylene
• Toluene + Acenaphthylene

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Recommended vapor pressures for acenaphthylene, fluoranthene, and fluorene
• Solubility of Acenaphthylene in Different Solvents between (278 and 323) K
• Vapor Pressures and Enthalpies of Sublimation of Ten Polycyclic Aromatic Hydrocarbons Determined via the Knudsen Effusion Method
• Joback Method
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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