Chemical Properties of 3-Methyldibenzofuran (CAS 7320-52-7)

InChI

InChI=1S/C13H10O/c1-9-6-7-11-10-4-2-3-5-12(10)14-13(11)8-9/h2-8H,1H3

InChI Key

JBFNQSFELCVNBC-UHFFFAOYSA-N

Formula

C13H10O

SMILES

Cc1ccc2c(c1)oc1ccccc12

Molecular Weight¹

182.22

CAS

7320-52-7

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	33.36	kJ/mol	Relay (1.0) Calculated Property
IE	7.83	eV	Relay (1.0) Calculated Property
log10WS	-5.15		Relay (1.0) Calculated Property
logPoct/wat	3.894		Crippen Calculated Property
McVol	141.520	ml/mol	McGowan Calculated Property
Pc	2975.93	kPa	Relay (1.0-beta) Calculated Property
Inp	[273.36; 1612.00]
Inp	1612.00		NIST
Inp	273.36		NIST
Inp	273.65		NIST
Tboil	584.81	K	Relay (1.0) Calculated Property
Tc	855.30	K	Relay (1.0) Calculated Property
Tfus	349.86	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

Find more compounds similar to 3-Methyldibenzofuran.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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