Chemical Properties of Hydrocoumarin (CAS 119-84-6)

InChI

InChI=1S/C9H8O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-4H,5-6H2

InChI Key

VMUXSMXIQBNMGZ-UHFFFAOYSA-N

Formula

C9H8O2

SMILES

O=C1CCc2ccccc2O1

Molecular Weight¹

148.16

CAS

119-84-6

Other Names

• 1,2-Benzodihydropyrone
• 1,2-benzodihydropyrone (dihydrocoumarin)
• 2-Chromanone
• 2H-1-Benzopyran-2-one, 3,4-dihydro-
• 3,4-Dihydro-2H-1-benzopyran-2-one
• 3,4-Dihydrocoumarin
• Benzodihydropyrone
• Benzopyranone, dihydro-
• Chroman, 2-oxo-
• Coumarin, 3,4-dihydro-
• Dihydrobenzopyrone
• Hydrocinnamic acid, o-hydroxy-, «delta»-lactone
• Melilotin
• Melilotine
• Melilotol
• NCI-C55890
• USAF DO-12
• dihydrocoumarin

• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ΔfG°	-24.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-186.75	kJ/mol	Joback Calculated Property
ΔfusH°	15.17	kJ/mol	Joback Calculated Property
ΔvapH°	69.90 ± 0.50	kJ/mol	NIST
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	1.538		Crippen Calculated Property
McVol	110.490	ml/mol	McGowan Calculated Property
Pc	4151.61	kPa	Joback Calculated Property
Inp	[1350.00; 1398.00]
Inp	1398.00		NIST
Inp	1361.00		NIST
Inp	1350.00		NIST
Inp	1392.00		NIST
Inp	1359.00		NIST
Inp	1359.00		NIST
Inp	1359.00		NIST
Inp	1361.00		NIST
Inp	1398.00		NIST
Inp	1350.00		NIST
Inp	1359.00		NIST
I	[2269.00; 2314.00]
I	2269.00		NIST
I	Outlier 2314.00		NIST
I	2286.00		NIST
I	2290.00		NIST
I	2286.00		NIST
I	2286.00		NIST
I	2286.00		NIST
I	2269.00		NIST
Tboil	545.20	K	NIST
Tc	799.04	K	Joback Calculated Property
Tfus	343.58	K	Joback Calculated Property
Vc	0.409	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[251.63; 321.13]	J/mol×K	[547.43; 799.04]
Cp,gas	251.63	J/mol×K	547.43	Joback Calculated Property
Cp,gas	265.51	J/mol×K	589.36	Joback Calculated Property
Cp,gas	278.43	J/mol×K	631.30	Joback Calculated Property
Cp,gas	290.42	J/mol×K	673.23	Joback Calculated Property
Cp,gas	301.51	J/mol×K	715.17	Joback Calculated Property
Cp,gas	311.73	J/mol×K	757.10	Joback Calculated Property
Cp,gas	321.13	J/mol×K	799.04	Joback Calculated Property
ΔvapH	69.90	kJ/mol	298.15	Experim...

Similar Compounds

Find more compounds similar to Hydrocoumarin.

Sources

• Crippen Method
• Crippen Method
• Experimental and computational thermochemistry of the isomers: Chromanone, 3-isochromanone, and dihydrocoumarin
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.