Chemical Properties of (E)-1-(4-Hydroxy-3-methoxyphenyl)dec-3-en-5-one (CAS 863913-65-9)

InChI

InChI=1S/C17H24O3/c1-3-4-5-9-15(18)10-7-6-8-14-11-12-16(19)17(13-14)20-2/h7,10-13,19H,3-6,8-9H2,1-2H3/b10-7+

InChI Key

CERFNDVNLCZPSE-JXMROGBWSA-N

Formula

C17H24O3

SMILES

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

Molecular Weight¹

276.37

CAS

863913-65-9

• 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°	-113.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-474.04	kJ/mol	Joback Calculated Property
ΔfusH°	42.21	kJ/mol	Joback Calculated Property
ΔvapH°	78.50	kJ/mol	Joback Calculated Property
log10WS	-4.42		Crippen Calculated Property
logPoct/wat	4.039		Crippen Calculated Property
McVol	235.640	ml/mol	McGowan Calculated Property
Pc	1911.91	kPa	Joback Calculated Property
Inp	[2231.70; 2231.70]
Inp	2231.70		NIST
Inp	2231.70		NIST
Tboil	781.09	K	Joback Calculated Property
Tc	990.84	K	Joback Calculated Property
Tfus	499.09	K	Joback Calculated Property
Vc	0.850	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[689.80; 771.06]	J/mol×K	[781.09; 990.84]
Cp,gas	689.80	J/mol×K	781.09	Joback Calculated Property
Cp,gas	705.04	J/mol×K	816.05	Joback Calculated Property
Cp,gas	719.49	J/mol×K	851.01	Joback Calculated Property
Cp,gas	733.24	J/mol×K	885.96	Joback Calculated Property
Cp,gas	746.37	J/mol×K	920.92	Joback Calculated Property
Cp,gas	758.95	J/mol×K	955.88	Joback Calculated Property
Cp,gas	771.06	J/mol×K	990.84	Joback Calculated Property
η	[0.0000059; 0.0001845]	Pa×s	[499.09; 781.09]
η	0.0001845	Pa×s	499.09	Joback Calculated Property
η	0.0000813	Pa×s	546.09	Joback Calculated Property
η	0.0000408	Pa×s	593.09	Joback Calculated Property
η	0.0000227	Pa×s	640.09	Joback Calculated Property
η	0.0000136	Pa×s	687.09	Joback Calculated Property
η	0.0000088	Pa×s	734.09	Joback Calculated Property
η	0.0000059	Pa×s	781.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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