Chemical Properties of Naphthalene, 1-(2-propenyl)- (CAS 2489-86-3)

InChI

InChI=1S/C13H12/c1-2-6-11-8-5-9-12-7-3-4-10-13(11)12/h2-5,7-10H,1,6H2

InChI Key

RJFCFNWLPJRCLR-UHFFFAOYSA-N

Formula

C13H12

SMILES

C=CCc1cccc2ccccc12

Molecular Weight¹

168.23

CAS

2489-86-3

Other Names

• Naphthalene, 1-allyl-
• «alpha»-Allylnaphthalene
• 1-Allylnaphthalene
• 1-(2-propenyl)-naphthalene

• ω : Acentric Factor.
• 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_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.
• 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
ω	0.3853		Relay (1.0) Calculated Property
ΔfH°gas	225.92	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.82	kJ/mol	Joback Calculated Property
ΔvapH°	65.03	kJ/mol	Relay (1.0) Calculated Property
IE	7.92	eV	Relay (1.0) Calculated Property
log10WS	-4.17		Relay (1.0) Calculated Property
logPoct/wat	3.568		Crippen Calculated Property
McVol	146.510	ml/mol	McGowan Calculated Property
Pc	2881.21	kPa	Joback Calculated Property
Inp	[252.95; 253.94]
Inp	253.94		NIST
Inp	253.53		NIST
Inp	252.95		NIST
Inp	253.94		NIST
Tboil	539.20	K	NIST
Tc	782.78	K	Relay (1.0) Calculated Property
Tfus	268.09	K	Relay (1.0) Calculated Property
Vc	0.532	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[175.75; 449.15]	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			-6.29690e+01
Coefficient B			1.07670e+00
Coefficient C			-8.07180e-04
Coefficient D			2.42600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	175.75	J/mol×K	273.00	Calculated Property
Cp,gas	227.66	J/mol×K	353.78	Calculated Property
Cp,gas	272.40	J/mol×K	434.56	Calculated Property
Cp,gas	310.73	J/mol×K	515.33	Calculated Property
Cp,gas	343.42	J/mol×K	596.11	Calculated Property
Cp,gas	371.24	J/mol×K	676.89	Calculated Property
Cp,gas	394.96	J/mol×K	757.67	Calculated Property
Cp,gas	415.34	J/mol×K	838.44	Calculated Property
Cp,gas	433.15	J/mol×K	919.22	Calculated Property
Cp,gas	449.15	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015564; 0.0003007]	Pa×s	[306.15; 542.95]	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			-1.02346e+01
Coefficient B			1.15396e+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.			306.15
Temperature range, max.			542.95
η	0.0015564	Pa×s	306.15	Calculated Property
η	0.0011550	Pa×s	332.46	Calculated Property
η	0.0008954	Pa×s	358.77	Calculated Property
η	0.0007188	Pa×s	385.08	Calculated Property
η	0.0005934	Pa×s	411.39	Calculated Property
η	0.0005013	Pa×s	437.71	Calculated Property
η	0.0004317	Pa×s	464.02	Calculated Property
η	0.0003778	Pa×s	490.33	Calculated Property
η	0.0003351	Pa×s	516.64	Calculated Property
η	0.0003007	Pa×s	542.95	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1-(2-propenyl)-.

Sources

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

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