Chemical Properties of (E)-1-(4-Hydroxy-3-methoxyphenyl)tetradec-3-en-5-one (CAS 1278586-98-3)

InChI

InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-13-19(22)14-11-10-12-18-15-16-20(23)21(17-18)24-2/h11,14-17,23H,3-10,12-13H2,1-2H3/b14-11+

InChI Key

ICGMHNGYISGRQK-SDNWHVSQSA-N

Formula

C21H32O3

SMILES

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

Molecular Weight¹

332.48

CAS

1278586-98-3

• 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°	-79.60	kJ/mol	Joback Calculated Property
ΔfH°gas	-556.60	kJ/mol	Joback Calculated Property
ΔfusH°	52.57	kJ/mol	Joback Calculated Property
ΔvapH°	87.41	kJ/mol	Joback Calculated Property
log10WS	-6.10		Crippen Calculated Property
logPoct/wat	5.599		Crippen Calculated Property
McVol	292.000	ml/mol	McGowan Calculated Property
Pc	1401.69	kPa	Joback Calculated Property
Inp	[2652.80; 2652.80]
Inp	2652.80		NIST
Inp	2652.80		NIST
Tboil	872.61	K	Joback Calculated Property
Tc	1079.80	K	Joback Calculated Property
Tfus	544.17	K	Joback Calculated Property
Vc	1.073	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[921.96; 1013.21]	J/mol×K	[872.61; 1079.80]
Cp,gas	921.96	J/mol×K	872.61	Joback Calculated Property
Cp,gas	938.81	J/mol×K	907.14	Joback Calculated Property
Cp,gas	954.89	J/mol×K	941.67	Joback Calculated Property
Cp,gas	970.28	J/mol×K	976.21	Joback Calculated Property
Cp,gas	985.07	J/mol×K	1010.74	Joback Calculated Property
Cp,gas	999.35	J/mol×K	1045.27	Joback Calculated Property
Cp,gas	1013.21	J/mol×K	1079.80	Joback Calculated Property
η	[0.0000026; 0.0000909]	Pa×s	[544.17; 872.61]
η	0.0000909	Pa×s	544.17	Joback Calculated Property
η	0.0000384	Pa×s	598.91	Joback Calculated Property
η	0.0000188	Pa×s	653.65	Joback Calculated Property
η	0.0000102	Pa×s	708.39	Joback Calculated Property
η	0.0000061	Pa×s	763.13	Joback Calculated Property
η	0.0000039	Pa×s	817.87	Joback Calculated Property
η	0.0000026	Pa×s	872.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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