Chemical Properties of 8(Z)-2,3-Dihydromatricaria ester

InChI

InChI=1S/C11H12O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h3-4H,9-10H2,1-2H3/b4-3+

InChI Key

SUBPZNAQAWTPJI-ARJAWSKDSA-N

Formula

C11H12O2

SMILES

C/C=C\C#CC#CCCC(=O)OC

Molecular Weight¹

176.22

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	35.06	kJ/mol	Joback Calculated Property
ΔvapH°	73.89	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	1.522		Crippen Calculated Property
McVol	151.790	ml/mol	McGowan Calculated Property
Pc	2778.85	kPa	Joback Calculated Property
Inp	[1537.00; 1537.00]
Inp	1537.00		NIST
Inp	1537.00		NIST
Tboil	478.20	K	Relay (1.0) Calculated Property
Tfus	270.23	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[322.01; 391.36]	J/mol×K	[531.66; 754.29]
Cp,gas	322.01	J/mol×K	531.66	Joback Calculated Property
Cp,gas	335.31	J/mol×K	568.76	Joback Calculated Property
Cp,gas	347.89	J/mol×K	605.87	Joback Calculated Property
Cp,gas	359.76	J/mol×K	642.97	Joback Calculated Property
Cp,gas	370.95	J/mol×K	680.08	Joback Calculated Property
Cp,gas	381.48	J/mol×K	717.18	Joback Calculated Property
Cp,gas	391.36	J/mol×K	754.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to 8(Z)-2,3-Dihydromatricaria ester.

Sources

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

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