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

InChI

InChI=1S/C6H8Cl2O2/c7-3-1-5-10-6(9)2-4-8/h1,3H,2,4-5H2/b3-1+

InChI Key

CSADUUPDAFPXAX-HNQUOIGGSA-N

Formula

C6H8Cl2O2

SMILES

O=C(CCCl)OC/C=C/Cl

Molecular Weight¹

183.03

• 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).
• 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, 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	[161.91; 322.94]	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			3.44430e+01
Coefficient B			5.52600e-01
Coefficient C			-3.32600e-04
Coefficient D			6.85000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.91	J/mol×K	273.00	Calculated Property
Cp,gas	191.35	J/mol×K	353.78	Calculated Property
Cp,gas	217.39	J/mol×K	434.56	Calculated Property
Cp,gas	240.26	J/mol×K	515.33	Calculated Property
Cp,gas	260.18	J/mol×K	596.11	Calculated Property
Cp,gas	277.35	J/mol×K	676.89	Calculated Property
Cp,gas	291.99	J/mol×K	757.67	Calculated Property
Cp,gas	304.33	J/mol×K	838.44	Calculated Property
Cp,gas	314.57	J/mol×K	919.22	Calculated Property
Cp,gas	322.94	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0043281; 0.0002506]	Pa×s	[254.47; 469.22]	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			-1.16673e+01
Coefficient B			1.58400e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			254.47
Temperature range, max.			469.22
η	0.0043281	Pa×s	254.47	Calculated Property
η	0.0025383	Pa×s	278.33	Calculated Property
η	0.0016195	Pa×s	302.19	Calculated Property
η	0.0011036	Pa×s	326.05	Calculated Property
η	0.0007924	Pa×s	349.91	Calculated Property
η	0.0005935	Pa×s	373.78	Calculated Property
η	0.0004602	Pa×s	397.64	Calculated Property
η	0.0003673	Pa×s	421.50	Calculated Property
η	0.0003003	Pa×s	445.36	Calculated Property
η	0.0002506	Pa×s	469.22	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chloropropionic 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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