Chemical Properties of 3-CHLORO-2,2-BIS(CHLOROMETHYL)PROPANOIC ACID

InChI

InChI=1S/C5H7Cl3O2/c6-1-5(2-7,3-8)4(9)10/h1-3H2,(H,9,10)

InChI Key

RDRNKIGGASXJAX-UHFFFAOYSA-N

Formula

C5H7Cl3O2

SMILES

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

Molecular Weight¹

205.47

Other Names

• 3-Chloro-2,2-bis(chloromethyl)propionic acid

• 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_fusH : Enthalpy of fusion at a given temperature (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).
• 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 vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.93; 314.34]	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			1.71430e+01
Coefficient B			6.75800e-01
Coefficient C			-5.53800e-04
Coefficient D			1.75200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	163.93	J/mol×K	273.00	Calculated Property
Cp,gas	194.67	J/mol×K	353.78	Calculated Property
Cp,gas	220.61	J/mol×K	434.56	Calculated Property
Cp,gas	242.31	J/mol×K	515.33	Calculated Property
Cp,gas	260.32	J/mol×K	596.11	Calculated Property
Cp,gas	275.18	J/mol×K	676.89	Calculated Property
Cp,gas	287.46	J/mol×K	757.67	Calculated Property
Cp,gas	297.71	J/mol×K	838.44	Calculated Property
Cp,gas	306.49	J/mol×K	919.22	Calculated Property
Cp,gas	314.34	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016467; 0.0003328]	Pa×s	[398.89; 551.52]	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			-1.21867e+01
Coefficient B			2.30468e+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.			398.89
Temperature range, max.			551.52
η	0.0016467	Pa×s	398.89	Calculated Property
η	0.0013010	Pa×s	415.85	Calculated Property
η	0.0010471	Pa×s	432.81	Calculated Property
η	0.0008566	Pa×s	449.77	Calculated Property
η	0.0007111	Pa×s	466.73	Calculated Property
η	0.0005980	Pa×s	483.69	Calculated Property
η	0.0005089	Pa×s	500.65	Calculated Property
η	0.0004376	Pa×s	517.61	Calculated Property
η	0.0003800	Pa×s	534.57	Calculated Property
η	0.0003328	Pa×s	551.52	Calculated Property

Similar Compounds

Find more compounds similar to 3-CHLORO-2,2-BIS(CHLOROMETHYL)PROPANOIC ACID.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.