Chemical Properties of Adipic acid, ethyl 3-methylbut-3-enyl ester

InChI

InChI=1S/C13H22O4/c1-4-16-12(14)7-5-6-8-13(15)17-10-9-11(2)3/h2,4-10H2,1,3H3

InChI Key

CUAAYQHVUNRARX-UHFFFAOYSA-N

Formula

C13H22O4

SMILES

C=C(C)CCOC(=O)CCCCC(=O)OCC

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°	-329.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-685.61	kJ/mol	Joback Calculated Property
ΔfusH°	32.41	kJ/mol	Joback Calculated Property
ΔvapH°	62.25	kJ/mol	Joback Calculated Property
log10WS	-2.84		Crippen Calculated Property
logPoct/wat	2.619		Crippen Calculated Property
McVol	204.610	ml/mol	McGowan Calculated Property
Pc	1846.75	kPa	Joback Calculated Property
Inp	[1647.00; 1647.00]
Inp	1647.00		NIST
Inp	1647.00		NIST
Tboil	645.98	K	Joback Calculated Property
Tc	827.19	K	Joback Calculated Property
Tfus	364.87	K	Joback Calculated Property
Vc	0.793	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[545.56; 623.82]	J/mol×K	[645.98; 827.19]
Cp,gas	545.56	J/mol×K	645.98	Joback Calculated Property
Cp,gas	560.30	J/mol×K	676.18	Joback Calculated Property
Cp,gas	574.36	J/mol×K	706.38	Joback Calculated Property
Cp,gas	587.74	J/mol×K	736.58	Joback Calculated Property
Cp,gas	600.43	J/mol×K	766.79	Joback Calculated Property
Cp,gas	612.46	J/mol×K	796.99	Joback Calculated Property
Cp,gas	623.82	J/mol×K	827.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, ethyl 3-methylbut-3-enyl ester.

Sources

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

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