Chemical Properties of 1-Naphthalenecarboxaldehyde

InChI

InChI=1S/C11H8O/c12-8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H

InChI Key

SQAINHDHICKHLX-UHFFFAOYSA-N

Formula

C11H8O

SMILES

O=Cc1cccc2ccccc12

Molecular Weight¹

156.18

Other Names

• 1-Formylnaphthalene
• 1-Naphthaldehyde
• 1-Naphthylaldehyde
• NSC 6106
• Naphthalene-1-carbaldehyde
• Naphthalene-1-carboxaldehyde
• «alpha»-Naphthal
• «alpha»-Naphthaldehyde
• «alpha»-Naphthylaldehyde
• «alpha»-Naphthylcarboxaldehyde

• 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).
• 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.
• I_p : 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	0.4536		Relay (1.0) Calculated Property
EA	[0.68; 0.74]	eV
EA	0.68 ± 0.10	eV	NIST
EA	0.68 ± 0.02	eV	NIST
EA	0.74 ± 0.07	eV	NIST
ΔfG°	151.65	kJ/mol	Joback Calculated Property
ΔfH°gas	30.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	17.21	kJ/mol	Joback Calculated Property
ΔvapH°	70.04	kJ/mol	Relay (1.0) Calculated Property
IE	[8.33; 8.43]	eV
IE	8.33	eV	NIST
IE	8.43 ± 0.03	eV	NIST
log10WS	-2.95		Relay (1.0) Calculated Property
logPoct/wat	2.652		Crippen Calculated Property
McVol	124.200	ml/mol	McGowan Calculated Property
Pc	3722.56	kPa	Joback Calculated Property
Inp	[249.26; 1467.00]
Inp	1467.00		NIST
Inp	257.40		NIST
Inp	249.26		NIST
Ip	2364.00		NIST
Tboil	565.20	K	NIST
Tc	856.04	K	Relay (1.0) Calculated Property
Tfus	290.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Vc	0.455	m3/kmol	Relay (1.0) Calculated Property

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.04; 365.26]	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			-4.67600e+01
Coefficient B			8.81200e-01
Coefficient C			-6.68480e-04
Coefficient D			1.99300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.04	J/mol×K	273.00	Calculated Property
Cp,gas	190.15	J/mol×K	353.78	Calculated Property
Cp,gas	226.29	J/mol×K	434.56	Calculated Property
Cp,gas	257.10	J/mol×K	515.33	Calculated Property
Cp,gas	283.21	J/mol×K	596.11	Calculated Property
Cp,gas	305.24	J/mol×K	676.89	Calculated Property
Cp,gas	323.83	J/mol×K	757.67	Calculated Property
Cp,gas	339.61	J/mol×K	838.44	Calculated Property
Cp,gas	353.21	J/mol×K	919.22	Calculated Property
Cp,gas	365.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0029196; 0.0003995]	Pa×s	[290.90; 551.95]	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			-1.00420e+01
Coefficient B			1.22343e+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.			290.90
Temperature range, max.			551.95
η	0.0029196	Pa×s	290.90	Calculated Property
η	0.0019940	Pa×s	319.91	Calculated Property
η	0.0014509	Pa×s	348.91	Calculated Property
η	0.0011086	Pa×s	377.92	Calculated Property
η	0.0008802	Pa×s	406.92	Calculated Property
η	0.0007206	Pa×s	435.93	Calculated Property
η	0.0006048	Pa×s	464.93	Calculated Property
η	0.0005182	Pa×s	493.94	Calculated Property
η	0.0004517	Pa×s	522.94	Calculated Property
η	0.0003995	Pa×s	551.95	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenecarboxaldehyde.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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