Chemical Properties of Benzoic acid 4,5-diethoxy-2-ethoxymethyl-tetrahydro-pyran-3-yl ester

InChI

InChI=1S/C19H28O6/c1-4-21-12-14-10-17(23-5-2)18(24-6-3)11-16(14)19(20)25-15-8-7-9-22-13-15/h10-11,15H,4-9,12-13H2,1-3H3

InChI Key

UPMIGZRNITUKAA-UHFFFAOYSA-N

Formula

C19H28O6

SMILES

CCOCc1cc(OCC)c(OCC)cc1C(=O)OC1CCCOC1

Molecular Weight¹

352.43

• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	45.59	kJ/mol	Joback Calculated Property
logPoct/wat	3.356		Crippen Calculated Property
McVol	274.870	ml/mol	McGowan Calculated Property
Inp	[2164.99; 2200.00]
Inp	2164.99		NIST
Inp	2200.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, 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	[400.73; 940.11]	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			4.82340e+01
Coefficient B			1.42616e+00
Coefficient C			-4.79380e-04
Coefficient D			-5.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	400.73	J/mol×K	273.00	Calculated Property
Cp,gas	490.35	J/mol×K	353.78	Calculated Property
Cp,gas	572.95	J/mol×K	434.56	Calculated Property
Cp,gas	648.36	J/mol×K	515.33	Calculated Property
Cp,gas	716.41	J/mol×K	596.11	Calculated Property
Cp,gas	776.92	J/mol×K	676.89	Calculated Property
Cp,gas	829.72	J/mol×K	757.67	Calculated Property
Cp,gas	874.63	J/mol×K	838.44	Calculated Property
Cp,gas	911.49	J/mol×K	919.22	Calculated Property
Cp,gas	940.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003280; 0.0000499]	Pa×s	[510.84; 742.14]	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			-1.40642e+01
Coefficient B			3.08625e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			510.84
Temperature range, max.			742.14
η	0.0003280	Pa×s	510.84	Calculated Property
η	0.0002455	Pa×s	536.54	Calculated Property
η	0.0001888	Pa×s	562.24	Calculated Property
η	0.0001485	Pa×s	587.94	Calculated Property
η	0.0001192	Pa×s	613.64	Calculated Property
η	0.0000974	Pa×s	639.34	Calculated Property
η	0.0000808	Pa×s	665.04	Calculated Property
η	0.0000680	Pa×s	690.74	Calculated Property
η	0.0000579	Pa×s	716.44	Calculated Property
η	0.0000499	Pa×s	742.14	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid 4,5-diethoxy-2-ethoxymethyl-tetrahydro-pyran-3-yl ester.

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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