Chemical Properties of Glutaric acid, 3-methylbut-2-en-1-yl hept-4-yl ester

InChI

InChI=1S/C17H30O4/c1-5-8-15(9-6-2)21-17(19)11-7-10-16(18)20-13-12-14(3)4/h12,15H,5-11,13H2,1-4H3

InChI Key

ZUPMXXHVQHLEMY-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

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

Molecular Weight¹

298.42

• 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	0.7995		Relay (1.0) Calculated Property
ΔfG°	-306.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-931.36	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.73	kJ/mol	Joback Calculated Property
ΔvapH°	85.39	kJ/mol	Relay (1.0) Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-3.96		Relay (1.0) Calculated Property
logPoct/wat	4.178		Crippen Calculated Property
McVol	260.970	ml/mol	McGowan Calculated Property
Pc	1378.88	kPa	Joback Calculated Property
Inp	[1916.00; 1916.00]
Inp	1916.00		NIST
Inp	1916.00		NIST
Tboil	587.81	K	Relay (1.0) Calculated Property
Tc	745.86	K	Relay (1.0) Calculated Property
Tfus	237.22	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[767.43; 855.19]	J/mol×K	[744.54; 929.10]
Cp,gas	767.43	J/mol×K	744.54	Joback Calculated Property
Cp,gas	784.22	J/mol×K	775.30	Joback Calculated Property
Cp,gas	800.11	J/mol×K	806.06	Joback Calculated Property
Cp,gas	815.14	J/mol×K	836.82	Joback Calculated Property
Cp,gas	829.32	J/mol×K	867.58	Joback Calculated Property
Cp,gas	842.66	J/mol×K	898.34	Joback Calculated Property
Cp,gas	855.19	J/mol×K	929.10	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 3-methylbut-2-en-1-yl hept-4-yl ester.

Sources

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

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