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).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	42.31	kJ/mol	Joback Calculated Property
logPoct/wat	1.875		Crippen Calculated Property
McVol	211.570	ml/mol	McGowan Calculated Property
Inp	[2527.00; 2527.00]
Inp	2527.00		NIST
Inp	2527.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization 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	[630.90; 705.35]	J/mol×K	[736.47; 943.66]
Cp,gas	630.90	J/mol×K	736.47	Joback Calculated Property
Cp,gas	645.68	J/mol×K	771.00	Joback Calculated Property
Cp,gas	659.43	J/mol×K	805.53	Joback Calculated Property
Cp,gas	672.21	J/mol×K	840.07	Joback Calculated Property
Cp,gas	684.09	J/mol×K	874.60	Joback Calculated Property
Cp,gas	695.11	J/mol×K	909.13	Joback Calculated Property
Cp,gas	705.35	J/mol×K	943.66	Joback Calculated Property
η	[0.0010663; 0.0024635]	Pa×s	[454.59; 736.47]
η	0.0024635	Pa×s	454.59	Joback Calculated Property
η	0.0020070	Pa×s	501.57	Joback Calculated Property
η	0.0016936	Pa×s	548.55	Joback Calculated Property
η	0.0014678	Pa×s	595.53	Joback Calculated Property
η	0.0012991	Pa×s	642.51	Joback Calculated Property
η	0.0011691	Pa×s	689.49	Joback Calculated Property
η	0.0010663	Pa×s	736.47	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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