Chemical Properties of 7-benz[de]anthrene

InChI

InChI=1S/C17H12O/c18-17-14-8-2-1-7-12(14)13-9-3-5-11-6-4-10-15(17)16(11)13/h1-8,10,13H,9H2

InChI Key

YCDFFWNIVSTHMV-UHFFFAOYSA-N

Formula

C17H12O

SMILES

O=C1c2ccccc2C2CC=Cc3cccc1c32

Molecular Weight¹

232.28

• ω : Acentric Factor.
• 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
ω	0.5317		Relay (1.0) Calculated Property
ΔfG°	336.87	kJ/mol	Joback Calculated Property
ΔfH°gas	124.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.73	kJ/mol	Joback Calculated Property
ΔvapH°	99.70	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-5.45		Relay (1.0) Calculated Property
logPoct/wat	3.780		Crippen Calculated Property
McVol	178.420	ml/mol	McGowan Calculated Property
Pc	2787.66	kPa	Joback Calculated Property
Inp	[406.54; 406.54]
Inp	406.54		NIST
Inp	406.54		NIST
Inp	406.54		NIST
Tboil	657.05	K	Relay (1.0) Calculated Property
Tc	975.84	K	Relay (1.0) Calculated Property
Tfus	424.55	K	Relay (1.0) Calculated Property
Vc	0.658	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[491.65; 570.03]	J/mol×K	[737.52; 1003.88]
Cp,gas	491.65	J/mol×K	737.52	Joback Calculated Property
Cp,gas	507.20	J/mol×K	781.91	Joback Calculated Property
Cp,gas	521.53	J/mol×K	826.31	Joback Calculated Property
Cp,gas	534.82	J/mol×K	870.70	Joback Calculated Property
Cp,gas	547.22	J/mol×K	915.10	Joback Calculated Property
Cp,gas	558.90	J/mol×K	959.49	Joback Calculated Property
Cp,gas	570.03	J/mol×K	1003.88	Joback Calculated Property

Similar Compounds

Find more compounds similar to 7-benz[de]anthrene.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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