Chemical Properties of (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one

InChI

InChI=1S/C23H36O3/c1-3-4-5-6-7-8-9-10-11-15-21(24)16-13-12-14-20-17-18-22(25)23(19-20)26-2/h13,16-19,25H,3-12,14-15H2,1-2H3/b16-13+

InChI Key

ZRRQCKQGNSJPPU-DTQAZKPQSA-N

Formula

C23H36O3

SMILES

CCCCCCCCCCCC(=O)C=CCCc1ccc(O)c(OC)c1

Molecular Weight¹

360.53

• 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°	-62.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-597.88	kJ/mol	Joback Calculated Property
ΔfusH°	57.75	kJ/mol	Joback Calculated Property
ΔvapH°	91.86	kJ/mol	Joback Calculated Property
log10WS	-6.94		Crippen Calculated Property
logPoct/wat	6.380		Crippen Calculated Property
McVol	320.180	ml/mol	McGowan Calculated Property
Pc	1219.99	kPa	Joback Calculated Property
Inp	[2862.20; 2862.20]
Inp	2862.20		NIST
Inp	2862.20		NIST
Tboil	918.37	K	Joback Calculated Property
Tc	1128.58	K	Joback Calculated Property
Tfus	566.71	K	Joback Calculated Property
Vc	1.185	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1043.46; 1140.49]	J/mol×K	[918.37; 1128.58]
Cp,gas	1043.46	J/mol×K	918.37	Joback Calculated Property
Cp,gas	1061.25	J/mol×K	953.41	Joback Calculated Property
Cp,gas	1078.25	J/mol×K	988.44	Joback Calculated Property
Cp,gas	1094.58	J/mol×K	1023.48	Joback Calculated Property
Cp,gas	1110.34	J/mol×K	1058.51	Joback Calculated Property
Cp,gas	1125.60	J/mol×K	1093.55	Joback Calculated Property
Cp,gas	1140.49	J/mol×K	1128.58	Joback Calculated Property
η	[0.0000017; 0.0000635]	Pa×s	[566.71; 918.37]
η	0.0000635	Pa×s	566.71	Joback Calculated Property
η	0.0000264	Pa×s	625.32	Joback Calculated Property
η	0.0000127	Pa×s	683.93	Joback Calculated Property
η	0.0000069	Pa×s	742.54	Joback Calculated Property
η	0.0000041	Pa×s	801.15	Joback Calculated Property
η	0.0000026	Pa×s	859.76	Joback Calculated Property
η	0.0000017	Pa×s	918.37	Joback Calculated Property

Similar Compounds

Find more compounds similar to (E)-1-(4-Hydroxy-3-methoxyphenyl)hexadec-3-en-5-one.

Sources

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

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