Chemical Properties of 3,3-Dichloro-2-propene-1-ol

InChI

InChI=1S/C3H4Cl2O/c4-3(5)1-2-6/h1,6H,2H2

InChI Key

KJEGVVJINLACNZ-UHFFFAOYSA-N

Formula

C3H4Cl2O

SMILES

OCC=C(Cl)Cl

Molecular Weight¹

126.97

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[94.58; 178.46]	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			1.73610e+01
Coefficient B			3.56300e-01
Coefficient C			-2.96700e-04
Coefficient D			1.01500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	94.58	J/mol×K	273.00	Calculated Property
Cp,gas	110.77	J/mol×K	353.78	Calculated Property
Cp,gas	124.49	J/mol×K	434.56	Calculated Property
Cp,gas	136.07	J/mol×K	515.33	Calculated Property
Cp,gas	145.82	J/mol×K	596.11	Calculated Property
Cp,gas	154.07	J/mol×K	676.89	Calculated Property
Cp,gas	161.14	J/mol×K	757.67	Calculated Property
Cp,gas	167.35	J/mol×K	838.44	Calculated Property
Cp,gas	173.01	J/mol×K	919.22	Calculated Property
Cp,gas	178.46	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 3,3-Dichloro-2-propene-1-ol.

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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