Chemical Properties of 11H-Benzo[a]fluoren-11-one (CAS 479-79-8)

InChI

InChI=1S/C17H10O/c18-17-15-8-4-3-7-13(15)14-10-9-11-5-1-2-6-12(11)16(14)17/h1-10H

InChI Key

RNICURKFVSAHLQ-UHFFFAOYSA-N

Formula

C17H10O

SMILES

O=C1c2ccccc2-c2ccc3ccccc3c21

Molecular Weight¹

230.26

CAS

479-79-8

Other Names

• 11H-Benzo[a]fluorene-11-one
• 11-benzo[a]fluorenone
• 1,2-Benzofluorenone

• 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°	364.91	kJ/mol	Joback Calculated Property
ΔfH°gas	203.27	kJ/mol	Joback Calculated Property
ΔfusH°	24.49	kJ/mol	Joback Calculated Property
ΔvapH°	65.74	kJ/mol	Joback Calculated Property
log10WS	-6.08		Crippen Calculated Property
logPoct/wat	4.051		Crippen Calculated Property
McVol	174.120	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[386.04; 2252.00]
Inp	2252.00		NIST
Inp	386.04		NIST
Inp	386.13		NIST
Inp	386.41		NIST
Tboil	746.33	K	Joback Calculated Property
Tc	1015.64	K	Joback Calculated Property
Tfus	501.89	K	Joback Calculated Property
Vc	0.674	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[461.25; 531.63]	J/mol×K	[746.33; 1015.64]
Cp,gas	461.25	J/mol×K	746.33	Joback Calculated Property
Cp,gas	474.99	J/mol×K	791.21	Joback Calculated Property
Cp,gas	487.69	J/mol×K	836.10	Joback Calculated Property
Cp,gas	499.53	J/mol×K	880.98	Joback Calculated Property
Cp,gas	510.68	J/mol×K	925.87	Joback Calculated Property
Cp,gas	521.33	J/mol×K	970.75	Joback Calculated Property
Cp,gas	531.63	J/mol×K	1015.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to 11H-Benzo[a]fluoren-11-one.

Sources

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

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