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

InChI

InChI=1S/C16H28O6/c1-3-5-9-21-14(17)7-6-8-15(18)22-12-16(4-2)10-19-13-20-11-16/h3-13H2,1-2H3

InChI Key

OHLJAXDZMRMVDR-UHFFFAOYSA-N

Formula

C16H28O6

SMILES

CCCCOC(=O)CCCC(=O)OCC1(CC)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°	-537.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1057.61	kJ/mol	Joback Calculated Property
ΔfusH°	44.26	kJ/mol	Joback Calculated Property
ΔvapH°	77.82	kJ/mol	Joback Calculated Property
log10WS	-2.57		Crippen Calculated Property
logPoct/wat	2.444		Crippen Calculated Property
McVol	252.060	ml/mol	McGowan Calculated Property
Pc	1693.51	kPa	Joback Calculated Property
Inp	[2503.00; 2503.00]
Inp	2503.00		NIST
Inp	2503.00		NIST
Tboil	791.75	K	Joback Calculated Property
Tc	993.05	K	Joback Calculated Property
Tfus	498.82	K	Joback Calculated Property
Vc	0.953	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[792.51; 888.28]	J/mol×K	[791.75; 993.05]
Cp,gas	792.51	J/mol×K	791.75	Joback Calculated Property
Cp,gas	810.06	J/mol×K	825.30	Joback Calculated Property
Cp,gas	826.86	J/mol×K	858.85	Joback Calculated Property
Cp,gas	843.01	J/mol×K	892.40	Joback Calculated Property
Cp,gas	858.58	J/mol×K	925.95	Joback Calculated Property
Cp,gas	873.64	J/mol×K	959.50	Joback Calculated Property
Cp,gas	888.28	J/mol×K	993.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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