Chemical Properties of Eugenyl hexanoate

InChI

InChI=1S/C16H22O3/c1-4-6-7-9-16(17)19-14-11-10-13(8-5-2)12-15(14)18-3/h5,10-12H,2,4,6-9H2,1,3H3

InChI Key

CBTUXJRFSPCNEZ-UHFFFAOYSA-N

Formula

C16H22O3

SMILES

C=CCc1ccc(OC(=O)CCCCC)c(OC)c1

Molecular Weight¹

262.34

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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°	-74.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-411.57	kJ/mol	Joback Calculated Property
ΔfusH°	33.15	kJ/mol	Joback Calculated Property
ΔvapH°	65.71	kJ/mol	Joback Calculated Property
log10WS	-4.65		Crippen Calculated Property
logPoct/wat	3.909		Crippen Calculated Property
McVol	221.550	ml/mol	McGowan Calculated Property
Pc	1762.45	kPa	Joback Calculated Property
Inp	[1917.00; 1917.00]
Inp	1917.00		NIST
Inp	1917.00		NIST
Tboil	697.51	K	Joback Calculated Property
Tc	896.32	K	Joback Calculated Property
Tfus	414.17	K	Joback Calculated Property
Vc	0.847	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[603.95; 686.67]	J/mol×K	[697.51; 896.32]
Cp,gas	603.95	J/mol×K	697.51	Joback Calculated Property
Cp,gas	619.94	J/mol×K	730.64	Joback Calculated Property
Cp,gas	635.04	J/mol×K	763.78	Joback Calculated Property
Cp,gas	649.24	J/mol×K	796.91	Joback Calculated Property
Cp,gas	662.58	J/mol×K	830.05	Joback Calculated Property
Cp,gas	675.05	J/mol×K	863.18	Joback Calculated Property
Cp,gas	686.67	J/mol×K	896.32	Joback Calculated Property
η	[0.0000988; 0.0008322]	Pa×s	[414.17; 697.51]
η	0.0008322	Pa×s	414.17	Joback Calculated Property
η	0.0004864	Pa×s	461.39	Joback Calculated Property
η	0.0003141	Pa×s	508.62	Joback Calculated Property
η	0.0002185	Pa×s	555.84	Joback Calculated Property
η	0.0001609	Pa×s	603.06	Joback Calculated Property
η	0.0001238	Pa×s	650.29	Joback Calculated Property
η	0.0000988	Pa×s	697.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Eugenyl hexanoate.

Sources

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

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