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

InChI

InChI=1S/C13H20O4/c1-4-5-9-16-12(14)6-7-13(15)17-10-8-11(2)3/h4,8H,1,5-7,9-10H2,2-3H3

InChI Key

JDRKWZYDDWUSBS-UHFFFAOYSA-N

Formula

C13H20O4

SMILES

C=CCCOC(=O)CCC(=O)OCC=C(C)C

Molecular Weight¹

240.30

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6509		Relay (... Calculated Property
ΔfG°	-249.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-744.06	kJ/mol	Relay (... Calculated Property
ΔfusH°	32.61	kJ/mol	Joback Calculated Property
ΔvapH°	75.11	kJ/mol	Relay (... Calculated Property
IE	8.78	eV	Relay (... Calculated Property
log10WS	-2.89		Relay (... Calculated Property
logPoct/wat	2.395		Crippen Calculated Property
McVol	200.310	ml/mol	McGowan Calculated Property
Pc	1932.13	kPa	Joback Calculated Property
Inp	[1670.00; 1670.00]
Inp	1670.00		NIST
Inp	1670.00		NIST
Tboil	559.53	K	Relay (... Calculated Property
Tc	718.19	K	Relay (... Calculated Property
Tfus	248.02	K	Relay (... Calculated Property
Vc	0.720	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[524.05; 599.19]	J/mol×K	[650.14; 837.55]
Cp,gas	524.05	J/mol×K	650.14	Joback Calculated Property
Cp,gas	538.30	J/mol×K	681.37	Joback Calculated Property
Cp,gas	551.84	J/mol×K	712.61	Joback Calculated Property
Cp,gas	564.69	J/mol×K	743.84	Joback Calculated Property
Cp,gas	576.85	J/mol×K	775.08	Joback Calculated Property
Cp,gas	588.35	J/mol×K	806.31	Joback Calculated Property
Cp,gas	599.19	J/mol×K	837.55	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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