Chemical Properties of Octan-2-yl (E)-2-methylbut-2-enoate

InChI

InChI=1S/C13H24O2/c1-5-7-8-9-10-12(4)15-13(14)11(3)6-2/h6,12H,5,7-10H2,1-4H3/b11-6-

InChI Key

XGOLBNZGKRAOKD-IZZDOVSWSA-N

Formula

C13H24O2

SMILES

C/C=C(\C)C(=O)OC(C)CCCCCC

Molecular Weight¹

212.33

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	29.16	kJ/mol	Joback Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
logPoct/wat	3.855		Crippen Calculated Property
McVol	197.170	ml/mol	McGowan Calculated Property
Inp	[1435.00; 1435.00]
Inp	1435.00		NIST
Inp	1435.00		NIST
Tboil	503.80	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[488.87; 578.49]	J/mol×K	[558.86; 737.28]
Cp,gas	488.87	J/mol×K	558.86	Joback Calculated Property
Cp,gas	505.68	J/mol×K	588.60	Joback Calculated Property
Cp,gas	521.71	J/mol×K	618.33	Joback Calculated Property
Cp,gas	536.99	J/mol×K	648.07	Joback Calculated Property
Cp,gas	551.53	J/mol×K	677.81	Joback Calculated Property
Cp,gas	565.35	J/mol×K	707.55	Joback Calculated Property
Cp,gas	578.49	J/mol×K	737.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Octan-2-yl (E)-2-methylbut-2-enoate.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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