Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl 2-methylhex-3-yl ester

InChI

InChI=1S/C17H30O4/c1-6-8-15(14(4)5)21-17(19)10-7-9-16(18)20-12-11-13(2)3/h11,14-15H,6-10,12H2,1-5H3

InChI Key

DBEDZZZYIKVQHA-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCC(OC(=O)CCCC(=O)OCC=C(C)C)C(C)C

Molecular Weight¹

298.42

• 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°	-308.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-786.94	kJ/mol	Joback Calculated Property
ΔfusH°	37.21	kJ/mol	Joback Calculated Property
ΔvapH°	71.01	kJ/mol	Joback Calculated Property
log10WS	-4.39		Crippen Calculated Property
logPoct/wat	4.034		Crippen Calculated Property
McVol	260.970	ml/mol	McGowan Calculated Property
Pc	1387.11	kPa	Joback Calculated Property
Inp	[1889.00; 1889.00]
Inp	1889.00		NIST
Inp	1889.00		NIST
Tboil	744.10	K	Joback Calculated Property
Tc	930.72	K	Joback Calculated Property
Tfus	376.63	K	Joback Calculated Property
Vc	1.004	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.93; 856.48]	J/mol×K	[744.10; 930.72]
Cp,gas	767.93	J/mol×K	744.10	Joback Calculated Property
Cp,gas	784.92	J/mol×K	775.20	Joback Calculated Property
Cp,gas	800.99	J/mol×K	806.31	Joback Calculated Property
Cp,gas	816.16	J/mol×K	837.41	Joback Calculated Property
Cp,gas	830.45	J/mol×K	868.51	Joback Calculated Property
Cp,gas	843.89	J/mol×K	899.62	Joback Calculated Property
Cp,gas	856.48	J/mol×K	930.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl 2-methylhex-3-yl ester.

Sources

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

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