Chemical Properties of 1H-Phenalen-1-one (CAS 548-39-0)

InChI

InChI=1S/C13H8O/c14-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8H

InChI Key

WWBGWPHHLRSTFI-UHFFFAOYSA-N

Formula

C13H8O

SMILES

O=C1C=Cc2cccc3cccc1c23

Molecular Weight¹

180.20

CAS

548-39-0

Other Names

• Phenalen-1-one
• Perinaphthenone
• Phenalenone
• 7-Perinaphthenone
• Perinaphthanone

• 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_subH : Enthalpy of sublimation 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).
• 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°	234.21	kJ/mol	Joback Calculated Property
ΔfH°gas	106.23	kJ/mol	Joback Calculated Property
ΔfusH°	17.50	kJ/mol	Joback Calculated Property
ΔvapH°	54.53	kJ/mol	Joback Calculated Property
IE	8.20 ± 0.04	eV	NIST
log10WS	-4.24		Crippen Calculated Property
logPoct/wat	3.049		Crippen Calculated Property
McVol	137.220	ml/mol	McGowan Calculated Property
Pc	3517.91	kPa	Joback Calculated Property
Inp	[317.00; 1759.00]
Inp	1751.00		NIST
Inp	1759.00		NIST
Inp	320.74		NIST
Inp	319.70		NIST
Inp	319.80		NIST
Inp	317.42		NIST
Inp	317.00		NIST
Inp	320.74		NIST
Inp	317.42		NIST
Inp	1751.00		NIST
Tboil	630.85	K	Joback Calculated Property
Tc	892.23	K	Joback Calculated Property
Tfus	411.59	K	Joback Calculated Property
Vc	0.528	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[329.11; 395.47]	J/mol×K	[630.85; 892.23]
Cp,gas	329.11	J/mol×K	630.85	Joback Calculated Property
Cp,gas	342.59	J/mol×K	674.41	Joback Calculated Property
Cp,gas	354.95	J/mol×K	717.98	Joback Calculated Property
Cp,gas	366.32	J/mol×K	761.54	Joback Calculated Property
Cp,gas	376.79	J/mol×K	805.11	Joback Calculated Property
Cp,gas	386.47	J/mol×K	848.67	Joback Calculated Property
Cp,gas	395.47	J/mol×K	892.23	Joback Calculated Property
ΔsubH	97.20 ± 2.50	kJ/mol	337.00	NIST

Similar Compounds

Find more compounds similar to 1H-Phenalen-1-one.

Sources

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

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