Chemical Properties of Avenaciolide, 1-dihydro-6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene

InChI

InChI=1S/C16H20O5/c1-2-19-14-5-3-4-12(10-14)6-7-13-8-9-15(17)20-11-16(18)21-13/h3-5,10,13H,2,6-9,11H2,1H3/t13-/m1/s1

InChI Key

QQARBWOMLWEZRU-CYBMUJFWSA-N

Formula

C16H20O5

SMILES

CCOc1cccc(CCC2CCC(=O)OCC(=O)O2)c1

Molecular Weight¹

292.33

• 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°	-335.55	kJ/mol	Joback Calculated Property
ΔfH°gas	-778.13	kJ/mol	Joback Calculated Property
ΔfusH°	34.65	kJ/mol	Joback Calculated Property
ΔvapH°	74.84	kJ/mol	Joback Calculated Property
log10WS	-3.06		Crippen Calculated Property
logPoct/wat	2.267		Crippen Calculated Property
McVol	222.430	ml/mol	McGowan Calculated Property
Pc	2167.36	kPa	Joback Calculated Property
Inp	[2464.00; 2464.00]
Inp	2464.00		NIST
Inp	2464.00		NIST
Tboil	837.19	K	Joback Calculated Property
Tc	1086.38	K	Joback Calculated Property
Tfus	521.17	K	Joback Calculated Property
Vc	0.815	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[712.57; 782.56]	J/mol×K	[837.19; 1086.38]
Cp,gas	712.57	J/mol×K	837.19	Joback Calculated Property
Cp,gas	729.80	J/mol×K	878.72	Joback Calculated Property
Cp,gas	744.89	J/mol×K	920.25	Joback Calculated Property
Cp,gas	757.79	J/mol×K	961.78	Joback Calculated Property
Cp,gas	768.42	J/mol×K	1003.32	Joback Calculated Property
Cp,gas	776.70	J/mol×K	1044.85	Joback Calculated Property
Cp,gas	782.56	J/mol×K	1086.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to Avenaciolide, 1-dihydro-6-[2-(3-ethoxyphenyl)ethyl]-4-demethylene.

Sources

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

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