Chemical Properties of 2-Butenoic acid, 2-methyl-, 2-methylpropyl ester

InChI

InChI=1S/C9H16O2/c1-5-8(4)9(10)11-6-7(2)3/h5,7H,6H2,1-4H3/b8-5+

InChI Key

XDEGQMQKHFPBEW-VMPITWQZSA-N

Formula

C9H16O2

SMILES

C/C=C(\C)C(=O)OCC(C)C

Molecular Weight¹

156.23

Other Names

• Isobutyl 2-methyl-2-butenoate
• Isobutyl tiglate

• ω : Acentric Factor.
• 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).
• 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.
• I : 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	0.4688		Relay (1.0) Calculated Property
ΔfH°gas	-454.18	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	18.80	kJ/mol	Joback Calculated Property
ΔvapH°	51.85	kJ/mol	Relay (1.0) Calculated Property
IE	9.34	eV	Relay (1.0) Calculated Property
log10WS	-2.88		Relay (1.0) Calculated Property
logPoct/wat	2.152		Crippen Calculated Property
McVol	140.810	ml/mol	McGowan Calculated Property
Pc	2470.27	kPa	Joback Calculated Property
Inp	[1076.00; 1098.00]
Inp	1090.00		NIST
Inp	1098.00		NIST
Inp	1097.00		NIST
Inp	Outlier 1076.00		NIST
Inp	1090.00		NIST
Inp	1097.00		NIST
Inp	1098.00		NIST
I	[1357.00; 1364.00]
I	1364.00		NIST
I	1357.00		NIST
I	1364.00		NIST
I	1357.00		NIST
Tboil	456.20	K	Relay (1.0) Calculated Property
Tc	644.81	K	Relay (1.0) Calculated Property
Tfus	212.56	K	Relay (1.0) Calculated Property
Vc	0.520	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[300.75; 374.49]	J/mol×K	[467.34; 653.06]
Cp,gas	300.75	J/mol×K	467.34	Joback Calculated Property
Cp,gas	314.57	J/mol×K	498.29	Joback Calculated Property
Cp,gas	327.76	J/mol×K	529.25	Joback Calculated Property
Cp,gas	340.33	J/mol×K	560.20	Joback Calculated Property
Cp,gas	352.30	J/mol×K	591.15	Joback Calculated Property
Cp,gas	363.68	J/mol×K	622.10	Joback Calculated Property
Cp,gas	374.49	J/mol×K	653.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenoic acid, 2-methyl-, 2-methylpropyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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