Chemical Properties of 3,3-Dimethylbutan-2-yl (E)-2-methylbut-2-enoate

InChI

InChI=1S/C11H20O2/c1-7-8(2)10(12)13-9(3)11(4,5)6/h7,9H,1-6H3/b8-7+

InChI Key

VCVVPZCHFOZXNS-BQYQJAHWSA-N

Formula

C11H20O2

SMILES

CC=C(C)C(=O)OC(C)C(C)(C)C

Molecular Weight¹

184.28

• 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°	-120.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.77	kJ/mol	Joback Calculated Property
ΔfusH°	14.99	kJ/mol	Joback Calculated Property
ΔvapH°	47.59	kJ/mol	Joback Calculated Property
log10WS	-3.01		Crippen Calculated Property
logPoct/wat	2.930		Crippen Calculated Property
McVol	168.990	ml/mol	McGowan Calculated Property
Pc	2175.46	kPa	Joback Calculated Property
Inp	[1184.00; 1184.00]
Inp	1184.00		NIST
Inp	1184.00		NIST
Tboil	527.74	K	Joback Calculated Property
Tc	723.38	K	Joback Calculated Property
Tfus	254.27	K	Joback Calculated Property
Vc	0.639	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.46; 485.54]	J/mol×K	[527.74; 723.38]
Cp,gas	400.46	J/mol×K	527.74	Joback Calculated Property
Cp,gas	416.69	J/mol×K	560.35	Joback Calculated Property
Cp,gas	432.06	J/mol×K	592.95	Joback Calculated Property
Cp,gas	446.59	J/mol×K	625.56	Joback Calculated Property
Cp,gas	460.32	J/mol×K	658.17	Joback Calculated Property
Cp,gas	473.29	J/mol×K	690.78	Joback Calculated Property
Cp,gas	485.54	J/mol×K	723.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Dimethylbutan-2-yl (E)-2-methylbut-2-enoate.

Sources

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

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