Chemical Properties of Avenaciolide, 6-(2-phenylethyl)

InChI

InChI=1S/C15H14O4/c1-9-12-11(8-7-10-5-3-2-4-6-10)18-15(17)13(12)19-14(9)16/h2-6,11-13H,1,7-8H2/t11-,12-,13-/m1/s1

InChI Key

WBDYUBHQOBHZGQ-JHJVBQTASA-N

Formula

C15H14O4

SMILES

C=C1C(=O)OC2C(=O)OC(CCc3ccccc3)C12

Molecular Weight¹

258.27

• 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°	-86.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-458.62	kJ/mol	Joback Calculated Property
ΔfusH°	35.61	kJ/mol	Joback Calculated Property
ΔvapH°	68.79	kJ/mol	Joback Calculated Property
log10WS	-2.55		Crippen Calculated Property
logPoct/wat	1.642		Crippen Calculated Property
McVol	187.310	ml/mol	McGowan Calculated Property
Pc	2553.34	kPa	Joback Calculated Property
Inp	[2231.00; 2231.00]
Inp	2231.00		NIST
Inp	2231.00		NIST
Tboil	775.33	K	Joback Calculated Property
Tc	1028.42	K	Joback Calculated Property
Tfus	513.09	K	Joback Calculated Property
Vc	0.705	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[578.19; 655.78]	J/mol×K	[775.33; 1028.42]
Cp,gas	578.19	J/mol×K	775.33	Joback Calculated Property
Cp,gas	594.91	J/mol×K	817.51	Joback Calculated Property
Cp,gas	610.10	J/mol×K	859.69	Joback Calculated Property
Cp,gas	623.77	J/mol×K	901.87	Joback Calculated Property
Cp,gas	635.93	J/mol×K	944.06	Joback Calculated Property
Cp,gas	646.59	J/mol×K	986.24	Joback Calculated Property
Cp,gas	655.78	J/mol×K	1028.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Avenaciolide, 6-(2-phenylethyl).

Sources

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

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