Chemical Properties of Ethanone, 1-(1-Naphthalenyl)- (CAS 941-98-0)

InChI

InChI=1S/C12H10O/c1-9(13)11-8-4-6-10-5-2-3-7-12(10)11/h2-8H,1H3

InChI Key

QQLIGMASAVJVON-UHFFFAOYSA-N

Formula

C12H10O

SMILES

CC(=O)c1cccc2ccccc12

Molecular Weight¹

170.21

CAS

941-98-0

Other Names

• 1'-Acetonaphthone
• 1-(1-Naphthalenyl)ethanone
• 1-(Naphthalen-4-yl)ethanone
• 1-Acetonaphthalene
• 1-Acetonaphthone
• 1-Acetylnaphthalene
• 1-Naphthyl methyl ketone
• Methyl 1-naphthyl ketone
• Methyl «alpha»-naphthyl ketone
• NSC 7659
• «alpha»-Acetonaphthone
• «alpha»-Acetylnaphthalene
• «alpha»-Methyl naphthyl ketone
• «alpha»-Naphthyl methyl ketone

• ω : Acentric Factor.
• C_p,gas : Ideal gas 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_fusH° : Enthalpy of fusion at standard conditions (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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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	0.4826		Relay (1.0) Calculated Property
EA	0.60 ± 0.03	eV	NIST
ΔfG°	130.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-29.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	19.11	kJ/mol	Joback Calculated Property
ΔvapH°	73.15	kJ/mol	Relay (1.0) Calculated Property
IE	[8.23; 8.23]	eV
IE	8.23	eV	NIST
IE	8.23	eV	NIST
log10WS	-3.21		Relay (1.0) Calculated Property
logPoct/wat	3.042		Crippen Calculated Property
McVol	138.290	ml/mol	McGowan Calculated Property
Pc	3280.28	kPa	Joback Calculated Property
Inp	[1592.00; 1592.00]
Inp	1592.00		NIST
Inp	1592.00		NIST
I	[2471.00; 2471.00]
I	2471.00		NIST
I	2471.00		NIST
Tboil	575.20	K	NIST
Tc	845.23	K	Relay (1.0) Calculated Property
Tfus	307.00	K	NIST
Vc	0.510	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[417.00; 428.50]	K	[0.80; 2.00]
Tboilr	417.00 ± 1.00	K	0.80	NIST
Tboilr	428.50 ± 1.50	K	2.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.27; 415.09]	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			-5.17100e+01
Coefficient B			9.73720e-01
Coefficient C			-7.11180e-04
Coefficient D			2.04260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.27	J/mol×K	273.00	Calculated Property
Cp,gas	212.80	J/mol×K	353.78	Calculated Property
Cp,gas	253.89	J/mol×K	434.56	Calculated Property
Cp,gas	289.17	J/mol×K	515.33	Calculated Property
Cp,gas	319.29	J/mol×K	596.11	Calculated Property
Cp,gas	344.89	J/mol×K	676.89	Calculated Property
Cp,gas	366.63	J/mol×K	757.67	Calculated Property
Cp,gas	385.14	J/mol×K	838.44	Calculated Property
Cp,gas	401.08	J/mol×K	919.22	Calculated Property
Cp,gas	415.09	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028924; 0.0003649]	Pa×s	[307.00; 572.26]	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			-1.03120e+01
Coefficient B			1.37115e+03
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.			307.00
Temperature range, max.			572.26
η	0.0028924	Pa×s	307.00	Calculated Property
η	0.0019559	Pa×s	336.47	Calculated Property
η	0.0014087	Pa×s	365.95	Calculated Property
η	0.0010654	Pa×s	395.42	Calculated Property
η	0.0008376	Pa×s	424.89	Calculated Property
η	0.0006794	Pa×s	454.37	Calculated Property
η	0.0005653	Pa×s	483.84	Calculated Property
η	0.0004804	Pa×s	513.31	Calculated Property
η	0.0004156	Pa×s	542.79	Calculated Property
η	0.0003649	Pa×s	572.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[433.94; 600.23]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.85376e+01
Coefficient B			-7.98937e+03
Coefficient C			3.83100e+00
Temperature range, min.			433.94
Temperature range, max.			600.23
Pvap	1.33	kPa	433.94	Calculated Property
Pvap	2.79	kPa	452.42	Calculated Property
Pvap	5.52	kPa	470.89	Calculated Property
Pvap	10.37	kPa	489.37	Calculated Property
Pvap	18.61	kPa	507.85	Calculated Property
Pvap	32.06	kPa	526.32	Calculated Property
Pvap	53.26	kPa	544.80	Calculated Property
Pvap	85.60	kPa	563.28	Calculated Property
Pvap	133.51	kPa	581.75	Calculated Property
Pvap	202.65	kPa	600.23	Calculated Property

Similar Compounds

Find more compounds similar to Ethanone, 1-(1-Naphthalenyl)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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