Chemical Properties of Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl isobutyl ester

InChI

InChI=1S/C16H28O6/c1-4-16(9-19-12-20-10-16)11-22-15(18)7-5-6-14(17)21-8-13(2)3/h13H,4-12H2,1-3H3

InChI Key

IMMXYWDWWCWWOV-UHFFFAOYSA-N

Formula

C16H28O6

SMILES

CCC1(COC(=O)CCCC(=O)OCC(C)C)COCOC1

Molecular Weight¹

316.39

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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°	-539.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-1062.89	kJ/mol	Joback Calculated Property
ΔfusH°	40.74	kJ/mol	Joback Calculated Property
ΔvapH°	77.43	kJ/mol	Joback Calculated Property
log10WS	-2.33		Crippen Calculated Property
logPoct/wat	2.300		Crippen Calculated Property
McVol	252.060	ml/mol	McGowan Calculated Property
Pc	1704.71	kPa	Joback Calculated Property
Inp	[2451.00; 2451.00]
Inp	2451.00		NIST
Inp	2451.00		NIST
Tboil	791.31	K	Joback Calculated Property
Tc	995.11	K	Joback Calculated Property
Tfus	483.82	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[793.03; 889.72]	J/mol×K	[791.31; 995.11]
Cp,gas	793.03	J/mol×K	791.31	Joback Calculated Property
Cp,gas	810.79	J/mol×K	825.28	Joback Calculated Property
Cp,gas	827.78	J/mol×K	859.24	Joback Calculated Property
Cp,gas	844.09	J/mol×K	893.21	Joback Calculated Property
Cp,gas	859.80	J/mol×K	927.18	Joback Calculated Property
Cp,gas	874.98	J/mol×K	961.14	Joback Calculated Property
Cp,gas	889.72	J/mol×K	995.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl isobutyl ester.

Sources

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

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