Chemical Properties of Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene

InChI

InChI=1S/C16H18O5/c1-2-19-11-5-3-4-10(8-11)6-7-13-12-9-14(17)21-15(12)16(18)20-13/h3-5,8,12-13,15H,2,6-7,9H2,1H3/t12-,13-,15-/m1/s1

InChI Key

FRNBJCMQOWSWFO-UMVBOHGHSA-N

Formula

C16H18O5

SMILES

CCOc1cccc(CCC2OC(=O)C3OC(=O)CC23)c1

Molecular Weight¹

290.31

• 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°	-246.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-707.19	kJ/mol	Joback Calculated Property
ΔfusH°	40.15	kJ/mol	Joback Calculated Property
ΔvapH°	73.93	kJ/mol	Joback Calculated Property
log10WS	-2.82		Crippen Calculated Property
logPoct/wat	1.875		Crippen Calculated Property
McVol	211.570	ml/mol	McGowan Calculated Property
Pc	2212.45	kPa	Joback Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST
Tboil	826.45	K	Joback Calculated Property
Tc	1069.84	K	Joback Calculated Property
Tfus	545.43	K	Joback Calculated Property
Vc	0.794	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.58; 764.43]	J/mol×K	[826.45; 1069.84]
Cp,gas	688.58	J/mol×K	826.45	Joback Calculated Property
Cp,gas	705.32	J/mol×K	867.02	Joback Calculated Property
Cp,gas	720.42	J/mol×K	907.58	Joback Calculated Property
Cp,gas	733.89	J/mol×K	948.15	Joback Calculated Property
Cp,gas	745.71	J/mol×K	988.71	Joback Calculated Property
Cp,gas	755.90	J/mol×K	1029.28	Joback Calculated Property
Cp,gas	764.43	J/mol×K	1069.84	Joback Calculated Property

Similar Compounds

Find more compounds similar to Avenaciolide, 6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene.

Sources

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

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