Chemical Properties of 1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione (CAS 136826-50-1)

InChI

InChI=1S/C21H30O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h11-15,24H,3-10,16H2,1-2H3/b13-11+

InChI Key

QJDGTTCAEQPSJA-ACCUITESSA-N

Formula

C21H30O4

SMILES

CCCCCCCCCC(=O)CC(=O)C=Cc1ccc(O)c(OC)c1

Molecular Weight¹

346.46

CAS

136826-50-1

• 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°	-208.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-669.18	kJ/mol	Joback Calculated Property
ΔfusH°	54.17	kJ/mol	Joback Calculated Property
ΔvapH°	94.15	kJ/mol	Joback Calculated Property
log10WS	-5.55		Crippen Calculated Property
logPoct/wat	5.083		Crippen Calculated Property
McVol	293.570	ml/mol	McGowan Calculated Property
Pc	1470.23	kPa	Joback Calculated Property
Inp	[3028.10; 3028.10]
Inp	3028.10		NIST
Inp	3028.10		NIST
Tboil	926.48	K	Joback Calculated Property
Tc	1141.95	K	Joback Calculated Property
Tfus	594.10	K	Joback Calculated Property
Vc	1.079	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[938.18; 1023.68]	J/mol×K	[926.48; 1141.95]
Cp,gas	938.18	J/mol×K	926.48	Joback Calculated Property
Cp,gas	953.87	J/mol×K	962.39	Joback Calculated Property
Cp,gas	968.86	J/mol×K	998.30	Joback Calculated Property
Cp,gas	983.23	J/mol×K	1034.21	Joback Calculated Property
Cp,gas	997.10	J/mol×K	1070.13	Joback Calculated Property
Cp,gas	1010.55	J/mol×K	1106.04	Joback Calculated Property
Cp,gas	1023.68	J/mol×K	1141.95	Joback Calculated Property
η	[0.0000022; 0.0000559]	Pa×s	[594.10; 926.48]
η	0.0000559	Pa×s	594.10	Joback Calculated Property
η	0.0000258	Pa×s	649.50	Joback Calculated Property
η	0.0000135	Pa×s	704.89	Joback Calculated Property
η	0.0000077	Pa×s	760.29	Joback Calculated Property
η	0.0000048	Pa×s	815.69	Joback Calculated Property
η	0.0000031	Pa×s	871.08	Joback Calculated Property
η	0.0000022	Pa×s	926.48	Joback Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-hydroxy-3-methoxyphenyl)tetradec-1-ene-3,5-dione.

Sources

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

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