Chemical Properties of (1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propyl acetate (CAS 1257094-34-0)

InChI

InChI=1S/C24H30O7/c1-8-9-17-12-21(28-6)24(22(13-17)29-7)30-15(2)23(31-16(3)25)18-10-11-19(26-4)20(14-18)27-5/h8,10-15,23H,1,9H2,2-7H3

InChI Key

SITDJJDXDVFCAP-UHFFFAOYSA-N

Formula

C24H30O7

SMILES

C=CCc1cc(OC)c(OC(C)C(OC(C)=O)c2ccc(OC)c(OC)c2)c(OC)c1

Molecular Weight¹

430.49

CAS

1257094-34-0

• 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°	-348.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-914.01	kJ/mol	Joback Calculated Property
ΔfusH°	44.45	kJ/mol	Joback Calculated Property
ΔvapH°	96.64	kJ/mol	Joback Calculated Property
log10WS	-5.87		Crippen Calculated Property
logPoct/wat	4.521		Crippen Calculated Property
McVol	333.990	ml/mol	McGowan Calculated Property
Pc	1176.05	kPa	Joback Calculated Property
Inp	[2853.90; 2853.90]
Inp	2853.90		NIST
Inp	2853.90		NIST
Tboil	1010.97	K	Joback Calculated Property
Tc	1240.40	K	Joback Calculated Property
Tfus	627.23	K	Joback Calculated Property
Vc	1.246	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1081.53; 1117.63]	J/mol×K	[1010.97; 1240.40]
Cp,gas	1081.53	J/mol×K	1010.97	Joback Calculated Property
Cp,gas	1093.04	J/mol×K	1049.21	Joback Calculated Property
Cp,gas	1102.41	J/mol×K	1087.45	Joback Calculated Property
Cp,gas	1109.59	J/mol×K	1125.69	Joback Calculated Property
Cp,gas	1114.55	J/mol×K	1163.92	Joback Calculated Property
Cp,gas	1117.24	J/mol×K	1202.16	Joback Calculated Property
Cp,gas	1117.63	J/mol×K	1240.40	Joback Calculated Property
η	[0.0000100; 0.0000767]	Pa×s	[627.23; 1010.97]
η	0.0000767	Pa×s	627.23	Joback Calculated Property
η	0.0000466	Pa×s	691.19	Joback Calculated Property
η	0.0000309	Pa×s	755.14	Joback Calculated Property
η	0.0000218	Pa×s	819.10	Joback Calculated Property
η	0.0000162	Pa×s	883.06	Joback Calculated Property
η	0.0000125	Pa×s	947.01	Joback Calculated Property
η	0.0000100	Pa×s	1010.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to (1S,2R)-2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)propyl acetate.

Sources

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

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