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

InChI

InChI=1S/C8H11ClO2/c9-5-2-6-11-8(10)7-3-1-4-7/h2,5,7H,1,3-4,6H2/b5-2+

InChI Key

PWMURWCEFOHIHN-GORDUTHDSA-N

Formula

C8H11ClO2

SMILES

O=C(OCC=CCl)C1CCC1

Molecular Weight¹

174.62

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.60; 399.37]	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			-3.56290e+01
Coefficient B			8.77100e-01
Coefficient C			-5.94800e-04
Coefficient D			1.52700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	162.60	J/mol×K	273.00	Calculated Property
Cp,gas	206.99	J/mol×K	353.78	Calculated Property
Cp,gas	245.73	J/mol×K	434.56	Calculated Property
Cp,gas	279.31	J/mol×K	515.33	Calculated Property
Cp,gas	308.20	J/mol×K	596.11	Calculated Property
Cp,gas	332.90	J/mol×K	676.89	Calculated Property
Cp,gas	353.89	J/mol×K	757.67	Calculated Property
Cp,gas	371.64	J/mol×K	838.44	Calculated Property
Cp,gas	386.64	J/mol×K	919.22	Calculated Property
Cp,gas	399.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0034141; 0.0003349]	Pa×s	[261.51; 491.19]	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			-1.06453e+01
Coefficient B			1.29853e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			261.51
Temperature range, max.			491.19
η	0.0034141	Pa×s	261.51	Calculated Property
η	0.0021955	Pa×s	287.03	Calculated Property
η	0.0015175	Pa×s	312.55	Calculated Property
η	0.0011090	Pa×s	338.07	Calculated Property
η	0.0008469	Pa×s	363.59	Calculated Property
η	0.0006700	Pa×s	389.11	Calculated Property
η	0.0005456	Pa×s	414.63	Calculated Property
η	0.0004550	Pa×s	440.15	Calculated Property
η	0.0003871	Pa×s	465.67	Calculated Property
η	0.0003349	Pa×s	491.19	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic 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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