Chemical Properties of 1,4-Naphthalenedione, 2-methoxy- (CAS 2348-82-5)

InChI

InChI=1S/C11H8O3/c1-14-10-6-9(12)7-4-2-3-5-8(7)11(10)13/h2-6H,1H3

InChI Key

OBGBGHKYJAOXRR-UHFFFAOYSA-N

Formula

C11H8O3

SMILES

COC1=CC(=O)c2ccccc2C1=O

Molecular Weight¹

188.18

CAS

2348-82-5

Other Names

• 1,4-Naphthoquinone, 2-methoxy-
• 2-Methoxy-p-naphthoquinone
• 2-Methoxy-1,4-naphthoquinone
• 2-Methoxynaphthoquinone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfG°	-128.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-319.64	kJ/mol	Joback Calculated Property
ΔfusH°	13.90	kJ/mol	Joback Calculated Property
ΔvapH°	55.27	kJ/mol	Joback Calculated Property
IE	[9.00; 9.50]	eV
IE	9.00	eV	NIST
IE	9.50	eV	NIST
log10WS	-2.54		Crippen Calculated Property
logPoct/wat	1.596		Crippen Calculated Property
McVol	135.940	ml/mol	McGowan Calculated Property
Pc	3476.55	kPa	Joback Calculated Property
Tboil	660.62	K	Joback Calculated Property
Tc	917.34	K	Joback Calculated Property
Tfus	443.28	K	Joback Calculated Property
Vc	0.511	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[341.27; 409.21]	J/mol×K	[660.62; 917.34]
Cp,gas	341.27	J/mol×K	660.62	Joback Calculated Property
Cp,gas	355.15	J/mol×K	703.41	Joback Calculated Property
Cp,gas	368.07	J/mol×K	746.19	Joback Calculated Property
Cp,gas	379.97	J/mol×K	788.98	Joback Calculated Property
Cp,gas	390.82	J/mol×K	831.77	Joback Calculated Property
Cp,gas	400.58	J/mol×K	874.55	Joback Calculated Property
Cp,gas	409.21	J/mol×K	917.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1,4-Naphthalenedione, 2-methoxy-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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