Chemical Properties of Acenaphthylene, 1,2-dihydro-5-nitro- (CAS 602-87-9)

InChI

InChI=1S/C12H9NO2/c14-13(15)11-7-6-9-5-4-8-2-1-3-10(11)12(8)9/h1-3,6-7H,4-5H2

InChI Key

CUARLQDWYSRQDF-UHFFFAOYSA-N

Formula

C12H9NO2

SMILES

O=[N+]([O-])c1ccc2c3c(cccc13)CC2

Molecular Weight¹

199.21

CAS

602-87-9

Other Names

• Acenaphthene, 5-nitro-
• 5-Nitroacenaphthene
• 5-Nitroacenapthene
• NCI-C01967
• 1,2-Dihydro-5-nitro-acenaphthylene
• 5-Nan
• 5-Nitronaphthalene ethylene

• 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°	356.44	kJ/mol	Joback Calculated Property
ΔfH°gas	190.72	kJ/mol	Joback Calculated Property
ΔfusH°	27.25	kJ/mol	Joback Calculated Property
ΔvapH°	64.85	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	2.847		Crippen Calculated Property
McVol	143.280	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[337.45; 337.65]
Inp	337.65		NIST
Inp	337.45		NIST
Inp	337.65		NIST
Tboil	693.54	K	Joback Calculated Property
Tc	959.27	K	Joback Calculated Property
Tfus	490.99	K	Joback Calculated Property
Vc	0.570	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[369.23; 429.44]	J/mol×K	[693.54; 959.27]
Cp,gas	369.23	J/mol×K	693.54	Joback Calculated Property
Cp,gas	381.05	J/mol×K	737.83	Joback Calculated Property
Cp,gas	391.92	J/mol×K	782.12	Joback Calculated Property
Cp,gas	402.01	J/mol×K	826.41	Joback Calculated Property
Cp,gas	411.52	J/mol×K	870.69	Joback Calculated Property
Cp,gas	420.60	J/mol×K	914.98	Joback Calculated Property
Cp,gas	429.44	J/mol×K	959.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acenaphthylene, 1,2-dihydro-5-nitro-.

Sources

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

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