Chemical Properties of 1(2H)-Acenaphthylenone (CAS 2235-15-6)

InChI

InChI=1S/C12H8O/c13-11-7-9-5-1-3-8-4-2-6-10(11)12(8)9/h1-6H,7H2

InChI Key

JBXIOAKUBCTDES-UHFFFAOYSA-N

Formula

C12H8O

SMILES

O=C1Cc2cccc3cccc1c23

Molecular Weight¹

168.19

CAS

2235-15-6

Other Names

• 1-Acenaphthenone
• Acenaphthenone
• 2-Acenaphthenone
• NSC 18756
• 1-Acenaphenone

• 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).
• 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°	207.93	kJ/mol	Joback Calculated Property
ΔfH°gas	75.25	kJ/mol	Joback Calculated Property
ΔfusH°	15.79	kJ/mol	Joback Calculated Property
ΔvapH°	51.84	kJ/mol	Joback Calculated Property
IE	8.29	eV	NIST
log10WS	-3.80		Crippen Calculated Property
logPoct/wat	2.579		Crippen Calculated Property
McVol	127.430	ml/mol	McGowan Calculated Property
Pc	3668.65	kPa	Joback Calculated Property
Inp	[280.60; 1589.00]
Inp	1589.00		NIST
Inp	280.60		NIST
Inp	1589.00		NIST
Inp	280.60		NIST
Tboil	604.54	K	Joback Calculated Property
Tc	860.23	K	Joback Calculated Property
Tfus	403.08	K	Joback Calculated Property
Vc	0.494	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[302.18; 367.17]	J/mol×K	[604.54; 860.23]
Cp,gas	302.18	J/mol×K	604.54	Joback Calculated Property
Cp,gas	315.28	J/mol×K	647.16	Joback Calculated Property
Cp,gas	327.32	J/mol×K	689.77	Joback Calculated Property
Cp,gas	338.43	J/mol×K	732.39	Joback Calculated Property
Cp,gas	348.70	J/mol×K	775.00	Joback Calculated Property
Cp,gas	358.24	J/mol×K	817.62	Joback Calculated Property
Cp,gas	367.17	J/mol×K	860.23	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1(2H)-Acenaphthylenone.

Sources

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

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