Chemical Properties of Naphthalene, 1,2,3,4-tetrahydro-5-nitro-

InChI

InChI=1S/C10H11NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7H,1-2,4,6H2

InChI Key

VXZHOWCMXKLZNY-UHFFFAOYSA-N

Formula

C10H11NO2

SMILES

O=[N+]([O-])c1cccc2c1CCCC2

Molecular Weight¹

177.20

Other Names

• 5-Nitro-1,2,3,4-tetrahydronaphthalene
• 1,2,3,4-tetrahydro-5-nitronaphthalene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	13.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	21.24	kJ/mol	Joback Calculated Property
ΔvapH°	71.17	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-3.92		Relay (1.0) Calculated Property
logPoct/wat	2.474		Crippen Calculated Property
McVol	134.560	ml/mol	McGowan Calculated Property
Inp	[262.41; 270.98]
Inp	270.98		NIST
Inp	270.98		NIST
Inp	270.61		NIST
Inp	Outlier 262.41		NIST
Inp	270.64		NIST
Inp	268.52		NIST
Tboil	568.37	K	Relay (1.0) Calculated Property
Tfus	320.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[340.54; 411.54]	J/mol×K	[632.36; 894.37]
Cp,gas	340.54	J/mol×K	632.36	Joback Calculated Property
Cp,gas	355.07	J/mol×K	676.03	Joback Calculated Property
Cp,gas	368.38	J/mol×K	719.70	Joback Calculated Property
Cp,gas	380.59	J/mol×K	763.36	Joback Calculated Property
Cp,gas	391.78	J/mol×K	807.03	Joback Calculated Property
Cp,gas	402.06	J/mol×K	850.70	Joback Calculated Property
Cp,gas	411.54	J/mol×K	894.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 1,2,3,4-tetrahydro-5-nitro-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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