Chemical Properties of Matricaria lactone (CAS 24486-38-2)

InChI

InChI=1S/C10H8O2/c1-2-3-4-5-6-9-7-8-10(11)12-9/h2-3,6-8H,1H3/b3-2-,9-6-

InChI Key

ZNOFNADHELRFDF-CITLEARMSA-N

Formula

C10H8O2

SMILES

CC=CC#CC=C1C=CC(=O)O1

Molecular Weight¹

160.17

CAS

24486-38-2

• 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).
• 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
ΔfG°	227.31	kJ/mol	Joback Calculated Property
ΔfH°gas	84.72	kJ/mol	Joback Calculated Property
ΔfusH°	26.88	kJ/mol	Joback Calculated Property
ΔvapH°	50.37	kJ/mol	Joback Calculated Property
log10WS	-2.62		Crippen Calculated Property
logPoct/wat	1.563		Crippen Calculated Property
McVol	126.840	ml/mol	McGowan Calculated Property
Pc	3620.24	kPa	Joback Calculated Property
Inp	[1563.00; 1563.00]
Inp	1563.00		NIST
Inp	1563.00		NIST
Tboil	561.88	K	Joback Calculated Property
Tc	814.91	K	Joback Calculated Property
Tfus	424.53	K	Joback Calculated Property
Vc	0.476	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.21; 340.89]	J/mol×K	[561.88; 814.91]
Cp,gas	275.21	J/mol×K	561.88	Joback Calculated Property
Cp,gas	288.14	J/mol×K	604.05	Joback Calculated Property
Cp,gas	300.23	J/mol×K	646.22	Joback Calculated Property
Cp,gas	311.51	J/mol×K	688.39	Joback Calculated Property
Cp,gas	322.02	J/mol×K	730.57	Joback Calculated Property
Cp,gas	331.80	J/mol×K	772.74	Joback Calculated Property
Cp,gas	340.89	J/mol×K	814.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to Matricaria lactone.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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