Chemical Properties of Benzoic acid 5-ethoxy-2-ethoxymethyl-4-methoxy-tetrahydro-pyran-3-yl ester

InChI

InChI=1S/C18H26O6/c1-4-21-11-13-9-16(20-3)17(23-5-2)10-15(13)18(19)24-14-7-6-8-22-12-14/h9-10,14H,4-8,11-12H2,1-3H3

InChI Key

OYCOANLWWRNLER-UHFFFAOYSA-N

Formula

C18H26O6

SMILES

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

Molecular Weight¹

338.40

• 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°	43.00	kJ/mol	Joback Calculated Property
logPoct/wat	2.966		Crippen Calculated Property
McVol	260.780	ml/mol	McGowan Calculated Property
Inp	[2143.20; 2180.69]
Inp	2143.20		NIST
Inp	2143.20		NIST
Inp	2180.69		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	[379.52; 888.52]	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			4.91430e+01
Coefficient B			1.33116e+00
Coefficient C			-4.24980e-04
Coefficient D			-6.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	379.52	J/mol×K	273.00	Calculated Property
Cp,gas	463.93	J/mol×K	353.78	Calculated Property
Cp,gas	541.87	J/mol×K	434.56	Calculated Property
Cp,gas	613.13	J/mol×K	515.33	Calculated Property
Cp,gas	677.50	J/mol×K	596.11	Calculated Property
Cp,gas	734.76	J/mol×K	676.89	Calculated Property
Cp,gas	784.70	J/mol×K	757.67	Calculated Property
Cp,gas	827.12	J/mol×K	838.44	Calculated Property
Cp,gas	861.80	J/mol×K	919.22	Calculated Property
Cp,gas	888.52	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0003647; 0.0000560]	Pa×s	[499.57; 726.92]	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			-1.39058e+01
Coefficient B			2.99209e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			499.57
Temperature range, max.			726.92
η	0.0003647	Pa×s	499.57	Calculated Property
η	0.0002734	Pa×s	524.83	Calculated Property
η	0.0002104	Pa×s	550.09	Calculated Property
η	0.0001657	Pa×s	575.35	Calculated Property
η	0.0001331	Pa×s	600.61	Calculated Property
η	0.0001089	Pa×s	625.88	Calculated Property
η	0.0000905	Pa×s	651.14	Calculated Property
η	0.0000762	Pa×s	676.40	Calculated Property
η	0.0000650	Pa×s	701.66	Calculated Property
η	0.0000560	Pa×s	726.92	Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid 5-ethoxy-2-ethoxymethyl-4-methoxy-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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