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

InChI

InChI=1S/C14H22O4/c1-4-5-10-17-13(15)7-6-8-14(16)18-11-9-12(2)3/h4,9H,1,5-8,10-11H2,2-3H3

InChI Key

CQOQSTBUDJIDNA-UHFFFAOYSA-N

Formula

C14H22O4

SMILES

C=CCCOC(=O)CCCC(=O)OCC=C(C)C

Molecular Weight¹

254.32

• 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°	-241.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-589.03	kJ/mol	Joback Calculated Property
ΔfusH°	35.20	kJ/mol	Joback Calculated Property
ΔvapH°	64.44	kJ/mol	Joback Calculated Property
log10WS	-3.12		Crippen Calculated Property
logPoct/wat	2.785		Crippen Calculated Property
McVol	214.400	ml/mol	McGowan Calculated Property
Pc	1778.84	kPa	Joback Calculated Property
Inp	[1746.00; 1746.00]
Inp	1746.00		NIST
Inp	1746.00		NIST
Tboil	673.02	K	Joback Calculated Property
Tc	858.99	K	Joback Calculated Property
Tfus	371.06	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[576.58; 654.37]	J/mol×K	[673.02; 858.99]
Cp,gas	576.58	J/mol×K	673.02	Joback Calculated Property
Cp,gas	591.35	J/mol×K	704.02	Joback Calculated Property
Cp,gas	605.38	J/mol×K	735.01	Joback Calculated Property
Cp,gas	618.68	J/mol×K	766.01	Joback Calculated Property
Cp,gas	631.26	J/mol×K	797.00	Joback Calculated Property
Cp,gas	643.15	J/mol×K	828.00	Joback Calculated Property
Cp,gas	654.37	J/mol×K	858.99	Joback Calculated Property

Similar Compounds

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

Sources

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

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