Chemical Properties of Adipic acid, di(3-methylbut-3-enyl) ester

InChI

InChI=1S/C16H26O4/c1-13(2)9-11-19-15(17)7-5-6-8-16(18)20-12-10-14(3)4/h1,3,5-12H2,2,4H3

InChI Key

CUSBMIUBCIBVOM-UHFFFAOYSA-N

Formula

C16H26O4

SMILES

C=C(C)CCOC(=O)CCCCC(=O)OCCC(=C)C

Molecular Weight¹

282.38

• 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°	-225.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-631.89	kJ/mol	Joback Calculated Property
ΔfusH°	37.59	kJ/mol	Joback Calculated Property
ΔvapH°	68.34	kJ/mol	Joback Calculated Property
log10WS	-3.95		Crippen Calculated Property
logPoct/wat	3.566		Crippen Calculated Property
McVol	242.580	ml/mol	McGowan Calculated Property
Pc	1516.39	kPa	Joback Calculated Property
Inp	[1919.00; 1919.00]
Inp	1919.00		NIST
Inp	1919.00		NIST
Tboil	711.18	K	Joback Calculated Property
Tc	894.51	K	Joback Calculated Property
Tfus	382.96	K	Joback Calculated Property
Vc	0.944	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[683.97; 766.86]	J/mol×K	[711.18; 894.51]
Cp,gas	683.97	J/mol×K	711.18	Joback Calculated Property
Cp,gas	699.78	J/mol×K	741.73	Joback Calculated Property
Cp,gas	714.77	J/mol×K	772.29	Joback Calculated Property
Cp,gas	728.95	J/mol×K	802.84	Joback Calculated Property
Cp,gas	742.35	J/mol×K	833.40	Joback Calculated Property
Cp,gas	754.98	J/mol×K	863.95	Joback Calculated Property
Cp,gas	766.86	J/mol×K	894.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Adipic acid, di(3-methylbut-3-enyl) ester.

Sources

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

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