Chemical Properties of 6-(4-Methoxyphenyl)hex-3-en-2-one (CAS 118790-84-4)

InChI

InChI=1S/C13H16O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3,5,7-10H,4,6H2,1-2H3/b5-3+

InChI Key

VHCHKVTYZDWNGL-HWKANZROSA-N

Formula

C13H16O2

SMILES

COc1ccc(CCC=CC(C)=O)cc1

Molecular Weight¹

204.26

CAS

118790-84-4

• 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°	7.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-214.17	kJ/mol	Joback Calculated Property
ΔfusH°	26.07	kJ/mol	Joback Calculated Property
ΔvapH°	56.58	kJ/mol	Joback Calculated Property
log10WS	-3.20		Crippen Calculated Property
logPoct/wat	2.773		Crippen Calculated Property
McVol	173.410	ml/mol	McGowan Calculated Property
Pc	2374.90	kPa	Joback Calculated Property
Inp	[1755.20; 1755.20]
Inp	1755.20		NIST
Inp	1755.20		NIST
Tboil	608.95	K	Joback Calculated Property
Tc	821.29	K	Joback Calculated Property
Tfus	342.29	K	Joback Calculated Property
Vc	0.659	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[422.62; 500.34]	J/mol×K	[608.95; 821.29]
Cp,gas	422.62	J/mol×K	608.95	Joback Calculated Property
Cp,gas	437.68	J/mol×K	644.34	Joback Calculated Property
Cp,gas	451.85	J/mol×K	679.73	Joback Calculated Property
Cp,gas	465.17	J/mol×K	715.12	Joback Calculated Property
Cp,gas	477.67	J/mol×K	750.51	Joback Calculated Property
Cp,gas	489.38	J/mol×K	785.90	Joback Calculated Property
Cp,gas	500.34	J/mol×K	821.29	Joback Calculated Property
η	[0.0001411; 0.0015261]	Pa×s	[342.29; 608.95]
η	0.0015261	Pa×s	342.29	Joback Calculated Property
η	0.0008169	Pa×s	386.73	Joback Calculated Property
η	0.0004975	Pa×s	431.18	Joback Calculated Property
η	0.0003323	Pa×s	475.62	Joback Calculated Property
η	0.0002379	Pa×s	520.06	Joback Calculated Property
η	0.0001795	Pa×s	564.51	Joback Calculated Property
η	0.0001411	Pa×s	608.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to 6-(4-Methoxyphenyl)hex-3-en-2-one.

Sources

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

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