Chemical Properties of 5-chlorovaleric acid, 3-chloroprop-2-enyl ester

InChI

InChI=1S/C8H12Cl2O2/c9-5-2-1-4-8(11)12-7-3-6-10/h3,6H,1-2,4-5,7H2/b6-3+

InChI Key

JSKLDLBTXFSIRC-ZZXKWVIFSA-N

Formula

C8H12Cl2O2

SMILES

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

Molecular Weight¹

211.09

• 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).
• IE : Ionization energy (eV).
• 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, 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	[204.34; 426.13]	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			3.26250e+01
Coefficient B			7.42600e-01
Coefficient C			-4.41400e-04
Coefficient D			9.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	204.34	J/mol×K	273.00	Calculated Property
Cp,gas	244.18	J/mol×K	353.78	Calculated Property
Cp,gas	279.55	J/mol×K	434.56	Calculated Property
Cp,gas	310.72	J/mol×K	515.33	Calculated Property
Cp,gas	338.00	J/mol×K	596.11	Calculated Property
Cp,gas	361.67	J/mol×K	676.89	Calculated Property
Cp,gas	382.02	J/mol×K	757.67	Calculated Property
Cp,gas	399.36	J/mol×K	838.44	Calculated Property
Cp,gas	413.96	J/mol×K	919.22	Calculated Property
Cp,gas	426.13	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0039871; 0.0002333]	Pa×s	[277.01; 497.90]	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			-1.19227e+01
Coefficient B			1.77232e+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.			277.01
Temperature range, max.			497.90
η	0.0039871	Pa×s	277.01	Calculated Property
η	0.0023687	Pa×s	301.55	Calculated Property
η	0.0015219	Pa×s	326.10	Calculated Property
η	0.0010403	Pa×s	350.64	Calculated Property
η	0.0007474	Pa×s	375.18	Calculated Property
η	0.0005593	Pa×s	399.73	Calculated Property
η	0.0004327	Pa×s	424.27	Calculated Property
η	0.0003444	Pa×s	448.82	Calculated Property
η	0.0002806	Pa×s	473.36	Calculated Property
η	0.0002333	Pa×s	497.90	Calculated Property

Similar Compounds

Find more compounds similar to 5-chlorovaleric 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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