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).
• 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°	37.77	kJ/mol	Joback Calculated Property
logPoct/wat	1.642		Crippen Calculated Property
McVol	187.310	ml/mol	McGowan Calculated Property
Inp	[2231.00; 2231.00]
Inp	2231.00		NIST
Inp	2231.00		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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[260.78; 621.55]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-5.58480e+01
Coefficient B			1.41730e+00
Coefficient C			-1.01960e-03
Coefficient D			2.79700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	260.78	J/mol×K	273.00	Calculated Property
Cp,gas	330.33	J/mol×K	353.78	Calculated Property
Cp,gas	390.46	J/mol×K	434.56	Calculated Property
Cp,gas	442.04	J/mol×K	515.33	Calculated Property
Cp,gas	485.96	J/mol×K	596.11	Calculated Property
Cp,gas	523.09	J/mol×K	676.89	Calculated Property
Cp,gas	554.34	J/mol×K	757.67	Calculated Property
Cp,gas	580.57	J/mol×K	838.44	Calculated Property
Cp,gas	602.68	J/mol×K	919.22	Calculated Property
Cp,gas	621.55	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028907; 0.0017081]	Pa×s	[422.25; 628.39]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-7.44998e+00
Coefficient B			6.77170e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			422.25
Temperature range, max.			628.39
η	0.0028907	Pa×s	422.25	Calculated Property
η	0.0026617	Pa×s	445.15	Calculated Property
η	0.0024708	Pa×s	468.06	Calculated Property
η	0.0023095	Pa×s	490.96	Calculated Property
η	0.0021718	Pa×s	513.87	Calculated Property
η	0.0020530	Pa×s	536.77	Calculated Property
η	0.0019497	Pa×s	559.68	Calculated Property
η	0.0018592	Pa×s	582.58	Calculated Property
η	0.0017792	Pa×s	605.49	Calculated Property
η	0.0017081	Pa×s	628.39	Calculated Property

Similar Compounds

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

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

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