Chemical Properties of 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro- (CAS 40353-34-2)

InChI

InChI=1S/C10H9NO3/c12-10-3-1-2-7-4-5-8(11(13)14)6-9(7)10/h4-6H,1-3H2

InChI Key

GWAQYWSNCVEJMW-UHFFFAOYSA-N

Formula

C10H9NO3

SMILES

O=C1CCCc2ccc([N+](=O)[O-])cc21

Molecular Weight¹

191.18

CAS

40353-34-2

Other Names

• 7-Nitro-1-tetralone
• 3,4-Dihydro-7-nitro-1(2H)-naphthalenone
• 3,4-dihydro-7-nitronaphthalen-1(2H)-one

• 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).
• 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
ΔfG°	95.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-97.62	kJ/mol	Joback Calculated Property
ΔfusH°	20.75	kJ/mol	Joback Calculated Property
ΔvapH°	62.69	kJ/mol	Joback Calculated Property
log10WS	-3.48		Crippen Calculated Property
logPoct/wat	2.114		Crippen Calculated Property
McVol	136.130	ml/mol	McGowan Calculated Property
Pc	3708.97	kPa	Joback Calculated Property
Inp	[314.16; 314.27]
Inp	314.27		NIST
Inp	314.27		NIST
Inp	314.16		NIST
Tboil	700.18	K	Joback Calculated Property
Tc	973.96	K	Joback Calculated Property
Tfus	484.41	K	Joback Calculated Property
Vc	0.526	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[362.00; 426.62]	J/mol×K	[700.18; 973.96]
Cp,gas	362.00	J/mol×K	700.18	Joback Calculated Property
Cp,gas	375.56	J/mol×K	745.81	Joback Calculated Property
Cp,gas	387.94	J/mol×K	791.44	Joback Calculated Property
Cp,gas	399.19	J/mol×K	837.07	Joback Calculated Property
Cp,gas	409.35	J/mol×K	882.70	Joback Calculated Property
Cp,gas	418.48	J/mol×K	928.33	Joback Calculated Property
Cp,gas	426.62	J/mol×K	973.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1(2H)-Naphthalenone, 3,4-dihydro-7-nitro-.

Sources

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

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