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

InChI

InChI=1S/C7H9ClO4/c1-6(9)12-5-7(10)11-4-2-3-8/h2-3H,4-5H2,1H3/b3-2+

InChI Key

MATWRJSMXKVOPA-NSCUHMNNSA-N

Formula

C7H9ClO4

SMILES

CC(=O)OCC(=O)OC/C=C/Cl

Molecular Weight¹

192.60

• 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).
• 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, 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	[186.05; 374.37]	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			4.60520e+01
Coefficient B			5.86020e-01
Coefficient C			-2.72000e-04
Coefficient D			1.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	186.05	J/mol×K	273.00	Calculated Property
Cp,gas	219.96	J/mol×K	353.78	Calculated Property
Cp,gas	250.52	J/mol×K	434.56	Calculated Property
Cp,gas	277.77	J/mol×K	515.33	Calculated Property
Cp,gas	301.76	J/mol×K	596.11	Calculated Property
Cp,gas	322.53	J/mol×K	676.89	Calculated Property
Cp,gas	340.14	J/mol×K	757.67	Calculated Property
Cp,gas	354.61	J/mol×K	838.44	Calculated Property
Cp,gas	366.01	J/mol×K	919.22	Calculated Property
Cp,gas	374.37	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042116; 0.0002077]	Pa×s	[278.15; 497.91]	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			-1.22884e+01
Coefficient B			1.89656e+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.			278.15
Temperature range, max.			497.91
η	0.0042116	Pa×s	278.15	Calculated Property
η	0.0024292	Pa×s	302.57	Calculated Property
η	0.0015212	Pa×s	326.99	Calculated Property
η	0.0010166	Pa×s	351.40	Calculated Property
η	0.0007159	Pa×s	375.82	Calculated Property
η	0.0005262	Pa×s	400.24	Calculated Property
η	0.0004007	Pa×s	424.66	Calculated Property
η	0.0003143	Pa×s	449.08	Calculated Property
η	0.0002528	Pa×s	473.50	Calculated Property
η	0.0002077	Pa×s	497.91	Calculated Property

Similar Compounds

Find more compounds similar to Acetoxyacetic 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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