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

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8905		Relay (1.0) Calculated Property
ΔfG°	-426.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-981.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.41	kJ/mol	Joback Calculated Property
ΔvapH°	100.74	kJ/mol	Relay (1.0) Calculated Property
IE	8.27	eV	Relay (1.0) Calculated Property
log10WS	-3.09		Relay (1.0) 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	669.32	K	Relay (1.0) Calculated Property
Tc	876.24	K	Relay (1.0) Calculated Property
Tfus	301.65	K	Relay (1.0) Calculated Property
Vc	0.971	m3/kmol	Relay (1.0) 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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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