Chemical Properties of Glutaric acid, isohexyl 3-methylbut-2-enyl ester

InChI

InChI=1S/C16H28O4/c1-13(2)7-6-11-19-15(17)8-5-9-16(18)20-12-10-14(3)4/h10,13H,5-9,11-12H2,1-4H3

InChI Key

LTRIEPBFIZMHKL-UHFFFAOYSA-N

Formula

C16H28O4

SMILES

CC(C)=CCOC(=O)CCCC(=O)OCCCC(C)C

Molecular Weight¹

284.39

• 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°	-314.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-761.02	kJ/mol	Joback Calculated Property
ΔfusH°	38.14	kJ/mol	Joback Calculated Property
ΔvapH°	69.17	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.645		Crippen Calculated Property
McVol	246.880	ml/mol	McGowan Calculated Property
Pc	1482.71	kPa	Joback Calculated Property
Inp	[1970.00; 1970.00]
Inp	1970.00		NIST
Inp	1970.00		NIST
Tboil	721.66	K	Joback Calculated Property
Tc	906.27	K	Joback Calculated Property
Tfus	380.36	K	Joback Calculated Property
Vc	0.955	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[710.57; 796.60]	J/mol×K	[721.66; 906.27]
Cp,gas	710.57	J/mol×K	721.66	Joback Calculated Property
Cp,gas	726.98	J/mol×K	752.43	Joback Calculated Property
Cp,gas	742.54	J/mol×K	783.20	Joback Calculated Property
Cp,gas	757.26	J/mol×K	813.96	Joback Calculated Property
Cp,gas	771.17	J/mol×K	844.73	Joback Calculated Property
Cp,gas	784.28	J/mol×K	875.50	Joback Calculated Property
Cp,gas	796.60	J/mol×K	906.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, isohexyl 3-methylbut-2-enyl ester.

Sources

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

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