Chemical Properties of 1-(4-Hydroxy-3-methoxyphenyl)octane-3,5-diyl diacetate (CAS 53254-50-5)

InChI

InChI=1S/C19H28O6/c1-5-6-16(24-13(2)20)12-17(25-14(3)21)9-7-15-8-10-18(22)19(11-15)23-4/h8,10-11,16-17,22H,5-7,9,12H2,1-4H3

InChI Key

AUBPDZJRJKZQEX-UHFFFAOYSA-N

Formula

C19H28O6

SMILES

CCCC(CC(CCc1ccc(O)c(OC)c1)OC(C)=O)OC(C)=O

Molecular Weight¹

352.42

CAS

53254-50-5

• 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).
• 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).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[418.17; 936.20]	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			3.00450e+01
Coefficient B			1.66408e+00
Coefficient C			-9.36520e-04
Coefficient D			1.78600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	418.17	J/mol×K	273.00	Calculated Property
Cp,gas	509.45	J/mol×K	353.78	Calculated Property
Cp,gas	590.99	J/mol×K	434.56	Calculated Property
Cp,gas	663.33	J/mol×K	515.33	Calculated Property
Cp,gas	727.06	J/mol×K	596.11	Calculated Property
Cp,gas	782.74	J/mol×K	676.89	Calculated Property
Cp,gas	830.93	J/mol×K	757.67	Calculated Property
Cp,gas	872.19	J/mol×K	838.44	Calculated Property
Cp,gas	907.09	J/mol×K	919.22	Calculated Property
Cp,gas	936.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0000868; 0.0000035]	Pa×s	[531.44; 766.43]	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			-1.98362e+01
Coefficient B			5.57159e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			531.44
Temperature range, max.			766.43
η	0.0000868	Pa×s	531.44	Calculated Property
η	0.0000531	Pa×s	557.55	Calculated Property
η	0.0000340	Pa×s	583.66	Calculated Property
η	0.0000226	Pa×s	609.77	Calculated Property
η	0.0000155	Pa×s	635.88	Calculated Property
η	0.0000110	Pa×s	661.99	Calculated Property
η	0.0000080	Pa×s	688.10	Calculated Property
η	0.0000059	Pa×s	714.21	Calculated Property
η	0.0000045	Pa×s	740.32	Calculated Property
η	0.0000035	Pa×s	766.43	Calculated Property

Similar Compounds

Find more compounds similar to 1-(4-Hydroxy-3-methoxyphenyl)octane-3,5-diyl diacetate.

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.
These property values are available through the Cheméo API. A free account gives you an access key.