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

InChI

InChI=1S/C13H22O4/c1-10(2)8-9-16-12(14)6-5-7-13(15)17-11(3)4/h8,11H,5-7,9H2,1-4H3

InChI Key

PMRZJYITKIZRAP-UHFFFAOYSA-N

Formula

C13H22O4

SMILES

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

Molecular Weight¹

242.31

• 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°	-340.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-699.10	kJ/mol	Joback Calculated Property
ΔfusH°	30.37	kJ/mol	Joback Calculated Property
ΔvapH°	62.49	kJ/mol	Joback Calculated Property
log10WS	-2.95		Crippen Calculated Property
logPoct/wat	2.618		Crippen Calculated Property
McVol	204.610	ml/mol	McGowan Calculated Property
Pc	1875.65	kPa	Joback Calculated Property
Inp	[1586.00; 1586.00]
Inp	1586.00		NIST
Inp	1586.00		NIST
Tboil	653.02	K	Joback Calculated Property
Tc	840.60	K	Joback Calculated Property
Tfus	346.55	K	Joback Calculated Property
Vc	0.786	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[547.06; 626.62]	J/mol×K	[653.02; 840.60]
Cp,gas	547.06	J/mol×K	653.02	Joback Calculated Property
Cp,gas	562.14	J/mol×K	684.28	Joback Calculated Property
Cp,gas	576.48	J/mol×K	715.55	Joback Calculated Property
Cp,gas	590.09	J/mol×K	746.81	Joback Calculated Property
Cp,gas	602.97	J/mol×K	778.08	Joback Calculated Property
Cp,gas	615.14	J/mol×K	809.34	Joback Calculated Property
Cp,gas	626.62	J/mol×K	840.60	Joback Calculated Property

Similar Compounds

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

Sources

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

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