Chemical Properties of 3-Methyl-2-butenoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C8H11ClO2/c1-7(2)6-8(10)11-5-3-4-9/h3-4,6H,5H2,1-2H3/b4-3+

InChI Key

UHEWJISEFLFVKJ-ONEGZZNKSA-N

Formula

C8H11ClO2

SMILES

CC(C)=CC(=O)OCC=CCl

Molecular Weight¹

174.62

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	24.14	kJ/mol	Joback Calculated Property
ΔvapH°	62.86	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.248		Crippen Calculated Property
McVol	134.660	ml/mol	McGowan Calculated Property
Inp	[1180.00; 1180.00]
Inp	1180.00		NIST
Inp	1180.00		NIST
Tboil	474.47	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, 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	[268.76; 328.17]	J/mol×K	[486.49; 684.94]
Cp,gas	268.76	J/mol×K	486.49	Joback Calculated Property
Cp,gas	280.21	J/mol×K	519.56	Joback Calculated Property
Cp,gas	291.00	J/mol×K	552.64	Joback Calculated Property
Cp,gas	301.17	J/mol×K	585.71	Joback Calculated Property
Cp,gas	310.73	J/mol×K	618.79	Joback Calculated Property
Cp,gas	319.72	J/mol×K	651.86	Joback Calculated Property
Cp,gas	328.17	J/mol×K	684.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methyl-2-butenoic acid, 3-chloroprop-2-enyl ester.

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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