Chemical Properties of 7-Hydroxy-4,8-dimethylcoumarin (CAS 4115-76-8)

InChI

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

InChI Key

MVMMGVPSTRNMSV-UHFFFAOYSA-N

Formula

C11H10O3

SMILES

Cc1cc(=O)oc2c(C)c(O)ccc12

Molecular Weight¹

190.20

CAS

4115-76-8

• 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_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	0.6608		Relay (... Calculated Property
ΔfG°	-218.65	kJ/mol	Relay (... Calculated Property ⚠️
ΔfH°gas	-396.40	kJ/mol	Relay (... Calculated Property
ΔvapH°	103.33	kJ/mol	Relay (... Calculated Property
IE	8.06	eV	Relay (... Calculated Property
log10WS	-2.35		Relay (... Calculated Property
logPoct/wat	2.115		Crippen Calculated Property
McVol	140.240	ml/mol	McGowan Calculated Property
Pc	5149.10	kPa	Relay (... Calculated Property ⚠️
Inp	[2013.00; 2026.00]
Inp	2026.00		NIST
Inp	2013.00		NIST
Tboil	618.90	K	Relay (... Calculated Property
Tc	856.21	K	Relay (... Calculated Property
Tfus	472.19	K	Relay (... Calculated Property
Vc	0.514	m3/kmol	Relay (... Calculated Property

Similar Compounds

Find more compounds similar to 7-Hydroxy-4,8-dimethylcoumarin.

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

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