Chemical Properties of 2,2-Dimethylpropanoic acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C8H13ClO2/c1-8(2,3)7(10)11-6-4-5-9/h4-5H,6H2,1-3H3/b5-4+

InChI Key

HEINMRDBMAQWSG-SNAWJCMRSA-N

Formula

C8H13ClO2

SMILES

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

Molecular Weight¹

176.64

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[189.47; 419.32]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-4.73900e+00
Coefficient B			8.61660e-01
Coefficient C			-5.92800e-04
Coefficient D			1.55200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	189.47	J/mol×K	273.00	Calculated Property
Cp,gas	232.78	J/mol×K	353.78	Calculated Property
Cp,gas	270.49	J/mol×K	434.56	Calculated Property
Cp,gas	303.11	J/mol×K	515.33	Calculated Property
Cp,gas	331.13	J/mol×K	596.11	Calculated Property
Cp,gas	355.03	J/mol×K	676.89	Calculated Property
Cp,gas	375.31	J/mol×K	757.67	Calculated Property
Cp,gas	392.46	J/mol×K	838.44	Calculated Property
Cp,gas	406.97	J/mol×K	919.22	Calculated Property
Cp,gas	419.32	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0070112; 0.0002127]	Pa×s	[249.51; 473.96]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.23409e+01
Coefficient B			1.84154e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			249.51
Temperature range, max.			473.96
η	0.0070112	Pa×s	249.51	Calculated Property
η	0.0035853	Pa×s	274.45	Calculated Property
η	0.0020502	Pa×s	299.39	Calculated Property
η	0.0012776	Pa×s	324.33	Calculated Property
η	0.0008517	Pa×s	349.26	Calculated Property
η	0.0005994	Pa×s	374.20	Calculated Property
η	0.0004407	Pa×s	399.14	Calculated Property
η	0.0003360	Pa×s	424.08	Calculated Property
η	0.0002640	Pa×s	449.02	Calculated Property
η	0.0002127	Pa×s	473.96	Calculated Property

Similar Compounds

Find more compounds similar to 2,2-Dimethylpropanoic 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

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