Chemical Properties of Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl 2-methylhex-3-yl ester

InChI

InChI=1S/C19H34O6/c1-5-8-16(15(3)4)25-18(21)10-7-9-17(20)24-13-19(6-2)11-22-14-23-12-19/h15-16H,5-14H2,1-4H3

InChI Key

FBTPTZPKKGEDNM-UHFFFAOYSA-N

Formula

C19H34O6

SMILES

CCCC(OC(=O)CCCC(=O)OCC1(CC)COCOC1)C(C)C

Molecular Weight¹

358.47

• 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°	-516.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1130.09	kJ/mol	Joback Calculated Property
ΔfusH°	44.99	kJ/mol	Joback Calculated Property
ΔvapH°	83.72	kJ/mol	Joback Calculated Property
log10WS	-3.69		Crippen Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	294.330	ml/mol	McGowan Calculated Property
Pc	1369.71	kPa	Joback Calculated Property
Inp	[2691.00; 2691.00]
Inp	2691.00		NIST
Inp	2691.00		NIST
Tboil	859.51	K	Joback Calculated Property
Tc	1064.70	K	Joback Calculated Property
Tfus	502.63	K	Joback Calculated Property
Vc	1.109	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[972.97; 1078.05]	J/mol×K	[859.51; 1064.70]
Cp,gas	972.97	J/mol×K	859.51	Joback Calculated Property
Cp,gas	992.14	J/mol×K	893.71	Joback Calculated Property
Cp,gas	1010.52	J/mol×K	927.91	Joback Calculated Property
Cp,gas	1028.21	J/mol×K	962.10	Joback Calculated Property
Cp,gas	1045.30	J/mol×K	996.30	Joback Calculated Property
Cp,gas	1061.88	J/mol×K	1030.50	Joback Calculated Property
Cp,gas	1078.05	J/mol×K	1064.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, (5-ethyl-1,3-dioxan-5-yl)methyl 2-methylhex-3-yl ester.

Sources

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

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