Chemical Properties of 4-Methylpentyl 3-hydroxy-2-methylenebutanoate

InChI

InChI=1S/C11H20O3/c1-8(2)6-5-7-14-11(13)9(3)10(4)12/h8,10,12H,3,5-7H2,1-2,4H3

InChI Key

HLNKZECEKFRDQV-UHFFFAOYSA-N

Formula

C11H20O3

SMILES

C=C(C(=O)OCCCC(C)C)C(C)O

Molecular Weight¹

200.27

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.07	kJ/mol	Joback Calculated Property
logPoct/wat	1.903		Crippen Calculated Property
McVol	174.860	ml/mol	McGowan Calculated Property
Inp	[1387.90; 1387.90]
Inp	1387.90		NIST
Inp	1387.90		NIST
Tboil	507.23	K	Relay (1.0) Calculated Property
Tfus	282.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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, Ionization energy, 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	[452.61; 523.19]	J/mol×K	[597.36; 771.21]
Cp,gas	452.61	J/mol×K	597.36	Joback Calculated Property
Cp,gas	465.89	J/mol×K	626.33	Joback Calculated Property
Cp,gas	478.55	J/mol×K	655.31	Joback Calculated Property
Cp,gas	490.59	J/mol×K	684.28	Joback Calculated Property
Cp,gas	502.04	J/mol×K	713.26	Joback Calculated Property
Cp,gas	512.90	J/mol×K	742.23	Joback Calculated Property
Cp,gas	523.19	J/mol×K	771.21	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Methylpentyl 3-hydroxy-2-methylenebutanoate.

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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