Chemical Properties of Benzofuran, 2-methyl- (CAS 4265-25-2)

InChI

InChI=1S/C9H8O/c1-7-6-8-4-2-3-5-9(8)10-7/h2-6H,1H3

InChI Key

GBGPVUAOTCNZPT-UHFFFAOYSA-N

Formula

C9H8O

SMILES

Cc1cc2ccccc2o1

Molecular Weight¹

132.16

CAS

4265-25-2

Other Names

• 2-Methylbenzo[b]furan
• 2-Methylbenzofuran
• 2-Methylcumarone

• ω : Acentric Factor.
• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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	0.3895		Relay (1.0) Calculated Property
PAff	859.60	kJ/mol	NIST
BasG	827.20	kJ/mol	NIST
ΔfH°gas	-44.05	kJ/mol	Relay (1.0) Calculated Property
IE	8.02	eV	Relay (1.0) Calculated Property
log10WS	-2.52		Relay (1.0) Calculated Property
logPoct/wat	2.741		Crippen Calculated Property
McVol	104.620	ml/mol	McGowan Calculated Property
Pc	4077.11	kPa	Relay (1.0-beta) Calculated Property
Inp	[180.00; 1131.00]
Inp	1131.00		NIST
Inp	1109.00		NIST
Inp	1109.00		NIST
Inp	1117.00		NIST
Inp	1107.00		NIST
Inp	1109.00		NIST
Inp	1123.00		NIST
Inp	180.00		NIST
Inp	184.50		NIST
I	[1563.00; 1589.00]
I	1563.00		NIST
I	1589.00		NIST
Tboil	470.70	K	NIST
Tc	723.90	K	Relay (1.0) Calculated Property
Tfus	243.80	K	Relay (1.0) Calculated Property
Vc	0.406	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.35; 500.41]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46238e+01
Coefficient B			-4.06751e+03
Coefficient C			-6.36230e+01
Temperature range, min.			347.35
Temperature range, max.			500.41
Pvap	1.33	kPa	347.35	Calculated Property
Pvap	3.00	kPa	364.36	Calculated Property
Pvap	6.19	kPa	381.36	Calculated Property
Pvap	11.86	kPa	398.37	Calculated Property
Pvap	21.33	kPa	415.38	Calculated Property
Pvap	36.37	kPa	432.38	Calculated Property
Pvap	59.14	kPa	449.39	Calculated Property
Pvap	92.30	kPa	466.40	Calculated Property
Pvap	138.97	kPa	483.40	Calculated Property
Pvap	202.65	kPa	500.41	Calculated Property

Similar Compounds

Find more compounds similar to Benzofuran, 2-methyl-.

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
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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