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

• 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_fusH° : Enthalpy of fusion 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	0.5855		Relay (... Calculated Property
ΔfG°	-187.25	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-346.97	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.31	kJ/mol	Standar...
ΔvapH°	95.34	kJ/mol	Relay (... Calculated Property
IE	8.40	eV	Relay (... Calculated Property
log10WS	-3.12		Relay (... Calculated Property
logPoct/wat	2.192		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	2785.82	kPa	Relay (... 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
Tboil	619.05	K	Relay (... Calculated Property
Tc	798.24	K	Relay (... Calculated Property
Tfus	372.82	K	Relay (... Calculated Property
Vc	0.533	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 7-Ethoxycoumarin.

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
• 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

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.