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

352.42

• 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°	-417.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.51	kJ/mol	Joback Calculated Property
ΔfusH°	44.00	kJ/mol	Joback Calculated Property
ΔvapH°	83.47	kJ/mol	Joback Calculated Property
log10WS	-4.36		Crippen Calculated Property
logPoct/wat	3.356		Crippen Calculated Property
McVol	274.870	ml/mol	McGowan Calculated Property
Pc	1519.94	kPa	Joback Calculated Property
Inp	[2164.99; 2200.00]
Inp	2164.99		NIST
Inp	2200.00		NIST
Tboil	865.79	K	Joback Calculated Property
Tc	1080.24	K	Joback Calculated Property
Tfus	540.67	K	Joback Calculated Property
Vc	1.024	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[885.89; 960.82]	J/mol×K	[865.79; 1080.24]
Cp,gas	885.89	J/mol×K	865.79	Joback Calculated Property
Cp,gas	902.34	J/mol×K	901.53	Joback Calculated Property
Cp,gas	917.22	J/mol×K	937.27	Joback Calculated Property
Cp,gas	930.53	J/mol×K	973.01	Joback Calculated Property
Cp,gas	942.25	J/mol×K	1008.76	Joback Calculated Property
Cp,gas	952.35	J/mol×K	1044.50	Joback Calculated Property
Cp,gas	960.82	J/mol×K	1080.24	Joback Calculated Property
η	[0.0000338; 0.0002843]	Pa×s	[540.67; 865.79]
η	0.0002843	Pa×s	540.67	Joback Calculated Property
η	0.0001696	Pa×s	594.86	Joback Calculated Property
η	0.0001103	Pa×s	649.04	Joback Calculated Property
η	0.0000767	Pa×s	703.23	Joback Calculated Property
η	0.0000561	Pa×s	757.42	Joback Calculated Property
η	0.0000428	Pa×s	811.60	Joback Calculated Property
η	0.0000338	Pa×s	865.79	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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