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

InChI

InChI=1S/C19H32O8/c1-3-18(8-22-14-23-9-18)12-26-16(20)6-5-7-17(21)27-13-19(4-2)10-24-15-25-11-19/h3-15H2,1-2H3

InChI Key

FXTONUMDXWNAEJ-UHFFFAOYSA-N

Formula

C19H32O8

SMILES

CCC1(COC(=O)CCCC(=O)OCC2(CC)COCOC2)COCOC1

Molecular Weight¹

388.45

• ω : Acentric Factor.
• 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).
• 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	0.9038		Relay (1.0) Calculated Property
ΔfG°	-665.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1555.95	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.53	kJ/mol	Joback Calculated Property
ΔvapH°	107.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.67	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	2.045		Crippen Calculated Property
McVol	295.210	ml/mol	McGowan Calculated Property
Pc	1618.07	kPa	Joback Calculated Property
Inp	[3153.00; 3153.00]
Inp	3153.00		NIST
Inp	3153.00		NIST
Tboil	676.52	K	Relay (1.0) Calculated Property
Tc	868.95	K	Relay (1.0) Calculated Property
Tfus	338.77	K	Relay (1.0) Calculated Property
Vc	1.124	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1038.01; 1177.93]	J/mol×K	[934.08; 1159.16]
Cp,gas	1038.01	J/mol×K	934.08	Joback Calculated Property
Cp,gas	1060.46	J/mol×K	971.59	Joback Calculated Property
Cp,gas	1082.97	J/mol×K	1009.11	Joback Calculated Property
Cp,gas	1105.76	J/mol×K	1046.62	Joback Calculated Property
Cp,gas	1129.05	J/mol×K	1084.13	Joback Calculated Property
Cp,gas	1153.03	J/mol×K	1121.65	Joback Calculated Property
Cp,gas	1177.93	J/mol×K	1159.16	Joback Calculated Property

Similar Compounds

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

Sources

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

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