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

InChI

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

InChI Key

PNUWFVSMBQWHQC-UHFFFAOYSA-N

Formula

C18H26O6

SMILES

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

Molecular Weight¹

338.40

• 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°	-426.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-931.87	kJ/mol	Joback Calculated Property
ΔfusH°	41.41	kJ/mol	Joback Calculated Property
ΔvapH°	81.25	kJ/mol	Joback Calculated Property
log10WS	-3.94		Crippen Calculated Property
logPoct/wat	2.966		Crippen Calculated Property
McVol	260.780	ml/mol	McGowan Calculated Property
Pc	1640.43	kPa	Joback Calculated Property
Inp	[2105.26; 2143.99]
Inp	2105.26		NIST
Inp	2143.99		NIST
Tboil	842.91	K	Joback Calculated Property
Tc	1058.34	K	Joback Calculated Property
Tfus	529.40	K	Joback Calculated Property
Vc	0.968	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[826.91; 903.02]	J/mol×K	[842.91; 1058.34]
Cp,gas	826.91	J/mol×K	842.91	Joback Calculated Property
Cp,gas	843.42	J/mol×K	878.82	Joback Calculated Property
Cp,gas	858.43	J/mol×K	914.72	Joback Calculated Property
Cp,gas	871.92	J/mol×K	950.63	Joback Calculated Property
Cp,gas	883.86	J/mol×K	986.53	Joback Calculated Property
Cp,gas	894.23	J/mol×K	1022.44	Joback Calculated Property
Cp,gas	903.02	J/mol×K	1058.34	Joback Calculated Property
η	[0.0000390; 0.0003145]	Pa×s	[529.40; 842.91]
η	0.0003145	Pa×s	529.40	Joback Calculated Property
η	0.0001900	Pa×s	581.65	Joback Calculated Property
η	0.0001247	Pa×s	633.90	Joback Calculated Property
η	0.0000873	Pa×s	686.15	Joback Calculated Property
η	0.0000643	Pa×s	738.41	Joback Calculated Property
η	0.0000493	Pa×s	790.66	Joback Calculated Property
η	0.0000390	Pa×s	842.91	Joback Calculated Property

Similar Compounds

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

Sources

• 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.