Chemical Properties of 2-Chloroisovaleric acid

InChI

InChI=1S/C5H9ClO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)

InChI Key

DDTJFSPKEIAZAM-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

CC(C)C(Cl)C(=O)O

Molecular Weight¹

136.58

• ω : Acentric Factor.
• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.95; 297.41]	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			1.24700e+01
Coefficient B			5.48240e-01
Coefficient C			-3.47600e-04
Coefficient D			8.43000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.95	J/mol×K	273.00	Calculated Property
Cp,gas	166.65	J/mol×K	353.78	Calculated Property
Cp,gas	191.99	J/mol×K	434.56	Calculated Property
Cp,gas	214.22	J/mol×K	515.33	Calculated Property
Cp,gas	233.62	J/mol×K	596.11	Calculated Property
Cp,gas	250.45	J/mol×K	676.89	Calculated Property
Cp,gas	264.98	J/mol×K	757.67	Calculated Property
Cp,gas	277.47	J/mol×K	838.44	Calculated Property
Cp,gas	288.19	J/mol×K	919.22	Calculated Property
Cp,gas	297.41	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0027943; 0.0003085]	Pa×s	[306.63; 491.39]	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			-1.17411e+01
Coefficient B			1.79714e+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.			306.63
Temperature range, max.			491.39
η	0.0027943	Pa×s	306.63	Calculated Property
η	0.0019344	Pa×s	327.16	Calculated Property
η	0.0013986	Pa×s	347.69	Calculated Property
η	0.0010484	Pa×s	368.22	Calculated Property
η	0.0008102	Pa×s	388.75	Calculated Property
η	0.0006425	Pa×s	409.28	Calculated Property
η	0.0005210	Pa×s	429.81	Calculated Property
η	0.0004306	Pa×s	450.33	Calculated Property
η	0.0003618	Pa×s	470.86	Calculated Property
η	0.0003085	Pa×s	491.39	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloroisovaleric acid.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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