Chemical Properties of Naphthalene, 2-nitro- (CAS 581-89-5)

InChI

InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

InChI Key

ZJYJZEAJZXVAMF-UHFFFAOYSA-N

Formula

C10H7NO2

SMILES

O=[N+]([O-])c1ccc2ccccc2c1

Molecular Weight¹

173.17

CAS

581-89-5

Other Names

• 2-Nitronaphthalene
• «beta»-Nitronaphthalene

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• EA : Electron affinity (eV).
• Δ_fH°_gas : 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_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
EA	[1.18; 1.24]	eV
EA	1.18 ± 0.10	eV	NIST
EA	1.24 ± 0.05	eV	NIST
ΔfH°gas	141.81	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	23.69	kJ/mol	Joback Calculated Property
ΔvapH°	78.74	kJ/mol	Relay (1.0) Calculated Property
IE	[8.63; 8.67]	eV
IE	8.63	eV	NIST
IE	8.67 ± 0.01	eV	NIST
log10WS	-3.82		Aq. Solubility Prediction
logPoct/wat	2.748		Crippen Calculated Property
McVol	125.960	ml/mol	McGowan Calculated Property
Inp	[275.21; 1672.00]
Inp	1631.00		NIST
Inp	1635.00		NIST
Inp	1635.00		NIST
Inp	1672.00		NIST
Inp	1631.00		NIST
Inp	1631.00		NIST
Inp	1656.00		NIST
Inp	1639.00		NIST
Inp	1631.00		NIST
Inp	280.32		NIST
Inp	275.21		NIST
Inp	280.06		NIST
Inp	278.91		NIST
Inp	280.63		NIST
Inp	279.20		NIST
Inp	1656.00		NIST
Inp	280.32		NIST
Inp	279.20		NIST
Inp	1639.00		NIST
Tboil	587.73	K	Relay (1.0) Calculated Property
Tfus	385.27	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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[149.09; 369.12]	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			-5.17600e+01
Coefficient B			9.11060e-01
Coefficient C			-6.99480e-04
Coefficient D			2.09300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	149.09	J/mol×K	273.00	Calculated Property
Cp,gas	192.27	J/mol×K	353.78	Calculated Property
Cp,gas	229.23	J/mol×K	434.56	Calculated Property
Cp,gas	260.62	J/mol×K	515.33	Calculated Property
Cp,gas	287.11	J/mol×K	596.11	Calculated Property
Cp,gas	309.35	J/mol×K	676.89	Calculated Property
Cp,gas	328.01	J/mol×K	757.67	Calculated Property
Cp,gas	343.75	J/mol×K	838.44	Calculated Property
Cp,gas	357.23	J/mol×K	919.22	Calculated Property
Cp,gas	369.12	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Naphthalene, 2-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
• Joback Method
• Aqueous Solubility Prediction 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.
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