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]
T(K) Ideal gas heat capacity (J/mol×K) 900 920 940 960 980 1000 1100 1200
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]
T(K) Dynamic viscosity (Pa×s) 0 2.00e-7 4.00e-7 6.00e-7 8.00e-7 1.00e-6 800 900 1000
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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.