Chemical Properties of (Z)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one (CAS 81569-02-0)

InChI

InChI=1S/C21H24O5/c1-25-20-13-15(8-11-18(20)23)5-3-4-6-17(22)10-7-16-9-12-19(24)21(14-16)26-2/h4,6,8-9,11-14,23-24H,3,5,7,10H2,1-2H3/b6-4-

InChI Key

FWDXZNKYDTXGOT-XQRVVYSFSA-N

Formula

C21H24O5

SMILES

COc1cc(CCC=CC(=O)CCc2ccc(O)c(OC)c2)ccc1O

Molecular Weight¹

356.41

CAS

81569-02-0

• 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°	-236.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-641.07	kJ/mol	Joback Calculated Property
ΔfusH°	53.19	kJ/mol	Joback Calculated Property
ΔvapH°	105.77	kJ/mol	Joback Calculated Property
log10WS	-4.45		Crippen Calculated Property
logPoct/wat	3.806		Crippen Calculated Property
McVol	279.980	ml/mol	McGowan Calculated Property
Pc	2023.58	kPa	Joback Calculated Property
Inp	[3103.30; 3103.30]
Inp	3103.30		NIST
Inp	3103.30		NIST
Tboil	1007.31	K	Joback Calculated Property
Tc	1247.99	K	Joback Calculated Property
Tfus	717.06	K	Joback Calculated Property
Vc	0.950	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[902.77; 998.67]	J/mol×K	[1007.31; 1247.99]
Cp,gas	902.77	J/mol×K	1007.31	Joback Calculated Property
Cp,gas	918.49	J/mol×K	1047.42	Joback Calculated Property
Cp,gas	934.08	J/mol×K	1087.54	Joback Calculated Property
Cp,gas	949.73	J/mol×K	1127.65	Joback Calculated Property
Cp,gas	965.60	J/mol×K	1167.77	Joback Calculated Property
Cp,gas	981.86	J/mol×K	1207.88	Joback Calculated Property
Cp,gas	998.67	J/mol×K	1247.99	Joback Calculated Property
η	[4.8301378e-08; 0.0000011]	Pa×s	[717.06; 1007.31]
η	0.0000011	Pa×s	717.06	Joback Calculated Property
η	0.0000005	Pa×s	765.43	Joback Calculated Property
η	0.0000003	Pa×s	813.81	Joback Calculated Property
η	0.0000002	Pa×s	862.18	Joback Calculated Property
η	0.0000001	Pa×s	910.56	Joback Calculated Property
η	7.1186132e-08	Pa×s	958.93	Joback Calculated Property
η	4.8301378e-08	Pa×s	1007.31	Joback Calculated Property

Similar Compounds

Find more compounds similar to (Z)-1,7-bis(4-Hydroxy-3-methoxyphenyl)hept-4-en-3-one.

Sources

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

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