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-METHYLBENZOFURAN
• 2-METHYLCUMARONE
• 2-Methylbenzo[b]furan

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
PAff	859.60	kJ/mol	NIST
BasG	827.20	kJ/mol	NIST
log10WS	-7.49		Crippen Calculated Property
logPoct/wat	2.741		Crippen Calculated Property
McVol	104.620	ml/mol	McGowan 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[347.35; 500.41]	The Yaw...
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

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

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