Chemical Properties of 1-acetyl-4-methyl dibenzofuran

InChI

InChI=1S/C15H12O2/c1-9-7-8-11(10(2)16)14-12-5-3-4-6-13(12)17-15(9)14/h3-8H,1-2H3

InChI Key

GWVDHRYHCOTEBJ-UHFFFAOYSA-N

Formula

C15H12O2

SMILES

CC(=O)c1ccc(C)c2oc3ccccc3c12

Molecular Weight¹

224.25

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.6029		Relay (1.0) Calculated Property
ΔfG°	26.72	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-125.85	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	93.27	kJ/mol	Relay (1.0) Calculated Property
IE	8.00	eV	Relay (1.0) Calculated Property
log10WS	-4.59		Relay (1.0) Calculated Property
logPoct/wat	4.097		Crippen Calculated Property
McVol	171.270	ml/mol	McGowan Calculated Property
Pc	2445.37	kPa	Relay (1.0-beta) Calculated Property
Inp	[296.17; 316.70]
Inp	316.70		NIST
Inp	296.17		NIST
Inp	316.70		NIST
Tboil	636.41	K	Relay (1.0) Calculated Property
Tc	926.84	K	Relay (1.0) Calculated Property
Tfus	369.70	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to 1-acetyl-4-methyl dibenzofuran.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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