Chemical Properties of 3,4-Dihydrocoumarin, 4,4-dimethyl-6-hydroxy- (CAS 29423-72-1)

InChI

InChI=1S/C11H12O3/c1-11(2)6-10(13)14-9-4-3-7(12)5-8(9)11/h3-5,12H,6H2,1-2H3

InChI Key

UKYURFSTLUGMPH-UHFFFAOYSA-N

Formula

C11H12O3

SMILES

CC1(C)CC(=O)Oc2ccc(O)cc21

Molecular Weight¹

192.21

CAS

29423-72-1

Other Names

• Coumarin-6-ol, 3,4-dihydro-4,4-dimethyl-
• 6-Hydroxy-4,4-dimethyl-3H-cromen-2-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[393.45; 472.39]	J/mol×K	[669.38; 929.10]
Cp,gas	393.45	J/mol×K	669.38	Joback Calculated Property
Cp,gas	407.45	J/mol×K	712.67	Joback Calculated Property
Cp,gas	420.79	J/mol×K	755.95	Joback Calculated Property
Cp,gas	433.71	J/mol×K	799.24	Joback Calculated Property
Cp,gas	446.45	J/mol×K	842.53	Joback Calculated Property
Cp,gas	459.26	J/mol×K	885.82	Joback Calculated Property
Cp,gas	472.39	J/mol×K	929.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dihydrocoumarin, 4,4-dimethyl-6-hydroxy-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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