Chemical Properties of 1-Naphthalenol, acetate

InChI

InChI=1S/C12H10O2/c1-9(13)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3

InChI Key

VGKONPUVOVVNSU-UHFFFAOYSA-N

Formula

C12H10O2

SMILES

CC(=O)Oc1cccc2ccccc12

Molecular Weight¹

186.21

Other Names

• 1-Acetoxynaphthalene
• 1-Naphthol, acetate
• 1-Naphthyl acetate
• A-naphthyl acetate
• Naphthalene, 1-acetoxy-
• «alpha»-Naphthyl acetate

• ω : Acentric Factor.
• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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_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).
• 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	0.5332		Relay (1.0) Calculated Property
ΔcH°solid	[-5862.70; -5790.30]	kJ/mol
ΔcH°solid	-5790.30 ± 5.80	kJ/mol	NIST
ΔcH°solid	-5846.30 ± 1.10	kJ/mol	NIST
ΔcH°solid	-5862.70 ± 7.30	kJ/mol	NIST
ΔfG°	-50.78	kJ/mol	Joback Calculated Property
ΔfH°gas	-230.20	kJ/mol	Relay (1.0) Calculated Property
ΔfH°solid	-305.00 ± 1.10	kJ/mol	NIST
ΔfusH°	21.88	kJ/mol	Joback Calculated Property
ΔsubH°	95.10 ± 0.60	kJ/mol	NIST
ΔvapH°	77.06	kJ/mol	Relay (1.0) Calculated Property
IE	7.74	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	2.765		Crippen Calculated Property
McVol	144.160	ml/mol	McGowan Calculated Property
Pc	3072.75	kPa	Joback Calculated Property
Tboil	565.20	K	Relay (1.0) Calculated Property
Tc	828.56	K	Relay (1.0) Calculated Property
Tfus	[317.90; 319.00]	K
Tfus	317.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	319.00 ± 0.50	K	NIST
Vc	0.527	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	[20.21; 20.21]	kJ/mol	[319.20; 319.20]
ΔfusH	20.21	kJ/mol	319.20	NIST
ΔfusH	20.21	kJ/mol	319.20	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.68; 434.18]	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			-3.36600e+01
Coefficient B			9.46920e-01
Coefficient C			-6.35280e-04
Coefficient D			1.56200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	180.68	J/mol×K	273.00	Calculated Property
Cp,gas	228.74	J/mol×K	353.78	Calculated Property
Cp,gas	270.68	J/mol×K	434.56	Calculated Property
Cp,gas	306.99	J/mol×K	515.33	Calculated Property
Cp,gas	338.15	J/mol×K	596.11	Calculated Property
Cp,gas	364.67	J/mol×K	676.89	Calculated Property
Cp,gas	387.04	J/mol×K	757.67	Calculated Property
Cp,gas	405.75	J/mol×K	838.44	Calculated Property
Cp,gas	421.30	J/mol×K	919.22	Calculated Property
Cp,gas	434.18	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0022843; 0.0002783]	Pa×s	[318.45; 571.26]	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			-1.08381e+01
Coefficient B			1.51468e+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.			318.45
Temperature range, max.			571.26
η	0.0022843	Pa×s	318.45	Calculated Property
η	0.0015535	Pa×s	346.54	Calculated Property
η	0.0011194	Pa×s	374.63	Calculated Property
η	0.0008443	Pa×s	402.72	Calculated Property
η	0.0006607	Pa×s	430.81	Calculated Property
η	0.0005327	Pa×s	458.90	Calculated Property
η	0.0004404	Pa×s	486.99	Calculated Property
η	0.0003717	Pa×s	515.08	Calculated Property
η	0.0003192	Pa×s	543.17	Calculated Property
η	0.0002783	Pa×s	571.26	Calculated Property

Similar Compounds

Find more compounds similar to 1-Naphthalenol, acetate.

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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