Chemical Properties of Avenaciolide, 1-dihydro-6-(2-phenylethyl)-4-demethylene

InChI

InChI=1S/C14H16O4/c15-13-9-8-12(18-14(16)10-17-13)7-6-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m1/s1

InChI Key

HPTMZEXRPOEIKD-GFCCVEGCSA-N

Formula

C14H16O4

SMILES

O=C1CCC(CCc2ccccc2)OC(=O)CO1

Molecular Weight¹

248.27

• 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°	-237.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.16	kJ/mol	Joback Calculated Property
ΔfusH°	28.67	kJ/mol	Joback Calculated Property
ΔvapH°	67.32	kJ/mol	Joback Calculated Property
log10WS	-2.52		Crippen Calculated Property
logPoct/wat	1.868		Crippen Calculated Property
McVol	188.380	ml/mol	McGowan Calculated Property
Pc	2701.41	kPa	Joback Calculated Property
Inp	[2145.00; 2145.00]
Inp	2145.00		NIST
Inp	2145.00		NIST
Tboil	764.03	K	Joback Calculated Property
Tc	1027.65	K	Joback Calculated Property
Tfus	463.88	K	Joback Calculated Property
Vc	0.684	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[572.38; 653.94]	J/mol×K	[764.03; 1027.65]
Cp,gas	572.38	J/mol×K	764.03	Joback Calculated Property
Cp,gas	591.13	J/mol×K	807.97	Joback Calculated Property
Cp,gas	607.89	J/mol×K	851.90	Joback Calculated Property
Cp,gas	622.61	J/mol×K	895.84	Joback Calculated Property
Cp,gas	635.23	J/mol×K	939.78	Joback Calculated Property
Cp,gas	645.69	J/mol×K	983.71	Joback Calculated Property
Cp,gas	653.94	J/mol×K	1027.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to Avenaciolide, 1-dihydro-6-(2-phenylethyl)-4-demethylene.

Sources

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

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