Chemical Properties of N-(2-hydroxyethyl) alpha,alpha-dichloropropionamide

InChI

InChI=1S/C5H9Cl2NO2/c1-5(6,7)4(10)8-2-3-9/h9H,2-3H2,1H3,(H,8,10)

InChI Key

VUMQYOYMVBQYQU-UHFFFAOYSA-N

Formula

C5H9Cl2NO2

SMILES

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

Molecular Weight¹

186.04

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, 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, Ionization energy 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	[166.51; 339.87]	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			1.10920e+01
Coefficient B			7.00420e-01
Coefficient C			-5.21100e-04
Coefficient D			1.49460e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	166.51	J/mol×K	273.00	Calculated Property
Cp,gas	200.28	J/mol×K	353.78	Calculated Property
Cp,gas	229.32	J/mol×K	434.56	Calculated Property
Cp,gas	254.11	J/mol×K	515.33	Calculated Property
Cp,gas	275.11	J/mol×K	596.11	Calculated Property
Cp,gas	292.79	J/mol×K	676.89	Calculated Property
Cp,gas	307.64	J/mol×K	757.67	Calculated Property
Cp,gas	320.12	J/mol×K	838.44	Calculated Property
Cp,gas	330.71	J/mol×K	919.22	Calculated Property
Cp,gas	339.87	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-(2-hydroxyethyl) alpha,alpha-dichloropropionamide.

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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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