Chemical Properties of Propanoic acid, 3-chloro-2,2-dimethyl-

InChI

InChI=1S/C5H9ClO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)

InChI Key

YBJGQSNSAWZZHL-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

CC(C)(CCl)C(=O)O

Molecular Weight¹

136.58

Other Names

• Propionic acid, 3-chloro-2,2-dimethyl-
• «beta»-Chloro-«alpha»,«alpha»-dimethylpropionic acid
• «beta»-Chloropivalic acid
• Chloropivalic acid
• Chlorotrimethylacetic acid
• 3-Chloro-2,2-dimethylpropionic acid
• 3-Chloropivalic acid
• NSC 89696
• 3-chloro-2,2-dimethylpropaneoic acid

• 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).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[137.12; 297.80]	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			-8.63900e+00
Coefficient B			6.62240e-01
Coefficient C			-5.13000e-04
Coefficient D			1.57200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.12	J/mol×K	273.00	Calculated Property
Cp,gas	168.40	J/mol×K	353.78	Calculated Property
Cp,gas	195.17	J/mol×K	434.56	Calculated Property
Cp,gas	217.91	J/mol×K	515.33	Calculated Property
Cp,gas	237.14	J/mol×K	596.11	Calculated Property
Cp,gas	253.33	J/mol×K	676.89	Calculated Property
Cp,gas	267.00	J/mol×K	757.67	Calculated Property
Cp,gas	278.64	J/mol×K	838.44	Calculated Property
Cp,gas	288.74	J/mol×K	919.22	Calculated Property
Cp,gas	297.80	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031556; 0.0003279]	Pa×s	[314.00; 492.43]	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			-1.20071e+01
Coefficient B			1.96204e+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.			314.00
Temperature range, max.			492.43
η	0.0031556	Pa×s	314.00	Calculated Property
η	0.0021773	Pa×s	333.83	Calculated Property
η	0.0015661	Pa×s	353.65	Calculated Property
η	0.0011666	Pa×s	373.48	Calculated Property
η	0.0008952	Pa×s	393.30	Calculated Property
η	0.0007046	Pa×s	413.13	Calculated Property
η	0.0005669	Pa×s	432.95	Calculated Property
η	0.0004649	Pa×s	452.78	Calculated Property
η	0.0003876	Pa×s	472.61	Calculated Property
η	0.0003279	Pa×s	492.43	Calculated Property

Similar Compounds

Find more compounds similar to Propanoic acid, 3-chloro-2,2-dimethyl-.

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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