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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.04	kJ/mol	Joback Calculated Property
logPoct/wat	4.521		Crippen Calculated Property
McVol	333.990	ml/mol	McGowan Calculated Property
Inp	[2853.90; 2853.90]
Inp	2853.90		NIST
Inp	2853.90		NIST
Tboil	708.82	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[495.77; 1078.43]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.31311e+02
Coefficient B			1.44962e+00
Coefficient C			-3.88700e-04
Coefficient D			-1.13800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	495.77	J/mol×K	273.00	Calculated Property
Cp,gas	590.47	J/mol×K	353.78	Calculated Property
Cp,gas	678.51	J/mol×K	434.56	Calculated Property
Cp,gas	759.55	J/mol×K	515.33	Calculated Property
Cp,gas	833.22	J/mol×K	596.11	Calculated Property
Cp,gas	899.16	J/mol×K	676.89	Calculated Property
Cp,gas	957.01	J/mol×K	757.67	Calculated Property
Cp,gas	1006.41	J/mol×K	838.44	Calculated Property
Cp,gas	1047.00	J/mol×K	919.22	Calculated Property
Cp,gas	1078.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000826; 0.0000150]	Pa×s	[597.40; 853.57]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.50791e+01
Coefficient B			3.39147e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			597.40
Temperature range, max.			853.57
η	0.0000826	Pa×s	597.40	Calculated Property
η	0.0000638	Pa×s	625.86	Calculated Property
η	0.0000504	Pa×s	654.33	Calculated Property
η	0.0000406	Pa×s	682.79	Calculated Property
η	0.0000333	Pa×s	711.25	Calculated Property
η	0.0000277	Pa×s	739.72	Calculated Property
η	0.0000234	Pa×s	768.18	Calculated Property
η	0.0000200	Pa×s	796.64	Calculated Property
η	0.0000172	Pa×s	825.11	Calculated Property
η	0.0000150	Pa×s	853.57	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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