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

InChI

InChI=1S/C17H30O4/c1-5-7-8-15(6-2)13-21-17(19)10-9-16(18)20-12-11-14(3)4/h11,15H,5-10,12-13H2,1-4H3

InChI Key

KIOHRQQHCRAHDI-UHFFFAOYSA-N

Formula

C17H30O4

SMILES

CCCCC(CC)COC(=O)CCC(=O)OCC=C(C)C

Molecular Weight¹

298.42

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-934.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.89	kJ/mol	Joback Calculated Property
ΔvapH°	87.64	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	4.036		Crippen Calculated Property
McVol	260.970	ml/mol	McGowan Calculated Property
Pc	1298.60	kPa	Joback Calculated Property
Inp	[1980.00; 1980.00]
Inp	1980.00		NIST
Inp	1980.00		NIST
Tboil	590.34	K	Relay (1.0) Calculated Property
Tc	756.50	K	Relay (1.0) Calculated Property
Tfus	224.88	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[752.90; 842.15]	J/mol×K	[708.60; 888.14]
Cp,gas	752.90	J/mol×K	708.60	Joback Calculated Property
Cp,gas	770.05	J/mol×K	738.52	Joback Calculated Property
Cp,gas	786.26	J/mol×K	768.45	Joback Calculated Property
Cp,gas	801.56	J/mol×K	798.37	Joback Calculated Property
Cp,gas	815.96	J/mol×K	828.29	Joback Calculated Property
Cp,gas	829.48	J/mol×K	858.22	Joback Calculated Property
Cp,gas	842.15	J/mol×K	888.14	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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