Chemical Properties of 7-Ethoxycoumarin (CAS 31005-02-4)

InChI

InChI=1S/C11H10O3/c1-2-13-9-5-3-8-4-6-11(12)14-10(8)7-9/h3-7H,2H2,1H3

InChI Key

LIFAQMGORKPVDH-UHFFFAOYSA-N

Formula

C11H10O3

SMILES

CCOc1ccc2ccc(=O)oc2c1

Molecular Weight¹

190.20

CAS

31005-02-4

Other Names

• 2H-1-Benzopyran-2-one, 7-ethoxy-
• 2H-1-benzopyran-2-one, 6-methoxy-4-methyl-
• 6-methoxy-4-methylcoumarin
• Coumarin, 7-ethoxy-
• Ethylumbelliferone

• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	33.31	kJ/mol	Standar...
log10WS	-6.97		Crippen Calculated Property
logPoct/wat	2.192		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Inp	[1754.00; 1829.00]
Inp	1754.00		NIST
Inp	1771.00		NIST
Inp	1779.00		NIST
Inp	1815.00		NIST
Inp	1829.00		NIST

Similar Compounds

Find more compounds similar to 7-Ethoxycoumarin.

Sources

• Crippen Method
• Crippen Method
• Standard molar enthalpies of formation in the crystalline phase of 7-hydroxy-4-methylcoumarin, 7-ethoxy-4-methylcoumarin, and 6-methoxy-4-methylcoumarin
• McGowan Method
• NIST Webbook

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