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

InChI

InChI=1S/C17H24O6/c1-4-21-10-12-8-15(19-2)16(20-3)9-14(12)17(18)23-13-6-5-7-22-11-13/h8-9,13H,4-7,10-11H2,1-3H3

InChI Key

FBWROJMKKNJULC-UHFFFAOYSA-N

Formula

C17H24O6

SMILES

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

Molecular Weight¹

324.37

• 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°	-434.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-911.23	kJ/mol	Joback Calculated Property
ΔfusH°	38.82	kJ/mol	Joback Calculated Property
ΔvapH°	79.02	kJ/mol	Joback Calculated Property
log10WS	-3.53		Crippen Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	246.690	ml/mol	McGowan Calculated Property
Pc	1775.84	kPa	Joback Calculated Property
Inp	[2080.78; 2120.76]
Inp	2080.78		NIST
Inp	2120.76		NIST
Tboil	820.03	K	Joback Calculated Property
Tc	1037.10	K	Joback Calculated Property
Tfus	518.13	K	Joback Calculated Property
Vc	0.911	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[768.63; 845.63]	J/mol×K	[820.03; 1037.10]
Cp,gas	768.63	J/mol×K	820.03	Joback Calculated Property
Cp,gas	785.18	J/mol×K	856.21	Joback Calculated Property
Cp,gas	800.27	J/mol×K	892.39	Joback Calculated Property
Cp,gas	813.89	J/mol×K	928.57	Joback Calculated Property
Cp,gas	826.00	J/mol×K	964.75	Joback Calculated Property
Cp,gas	836.59	J/mol×K	1000.93	Joback Calculated Property
Cp,gas	845.63	J/mol×K	1037.10	Joback Calculated Property
η	[0.0000449; 0.0003466]	Pa×s	[518.13; 820.03]
η	0.0003466	Pa×s	518.13	Joback Calculated Property
η	0.0002120	Pa×s	568.45	Joback Calculated Property
η	0.0001405	Pa×s	618.76	Joback Calculated Property
η	0.0000990	Pa×s	669.08	Joback Calculated Property
η	0.0000733	Pa×s	719.40	Joback Calculated Property
η	0.0000565	Pa×s	769.71	Joback Calculated Property
η	0.0000449	Pa×s	820.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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