Chemical Properties of Glycerine mono-alpha,alpha-dichloropropionate (CAS 116402-61-0)

InChI

InChI=1S/C6H10Cl2O4/c1-6(7,8)5(11)12-3-4(10)2-9/h4,9-10H,2-3H2,1H3

InChI Key

MPXPHJHCZGNCNN-UHFFFAOYSA-N

Formula

C6H10Cl2O4

SMILES

CC(Cl)(Cl)C(=O)OCC(O)CO

Molecular Weight¹

217.05

CAS

116402-61-0

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, 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	[199.14; 392.87]	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			3.30520e+01
Coefficient B			7.32320e-01
Coefficient C			-4.84600e-04
Coefficient D			1.12100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	199.14	J/mol×K	273.00	Calculated Property
Cp,gas	236.44	J/mol×K	353.78	Calculated Property
Cp,gas	268.97	J/mol×K	434.56	Calculated Property
Cp,gas	297.09	J/mol×K	515.33	Calculated Property
Cp,gas	321.14	J/mol×K	596.11	Calculated Property
Cp,gas	341.48	J/mol×K	676.89	Calculated Property
Cp,gas	358.47	J/mol×K	757.67	Calculated Property
Cp,gas	372.47	J/mol×K	838.44	Calculated Property
Cp,gas	383.81	J/mol×K	919.22	Calculated Property
Cp,gas	392.87	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0090417; 0.0000443]	Pa×s	[368.61; 583.45]	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			-1.91529e+01
Coefficient B			5.32530e+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.			368.61
Temperature range, max.			583.45
η	0.0090417	Pa×s	368.61	Calculated Property
η	0.0037554	Pa×s	392.48	Calculated Property
η	0.0017251	Pa×s	416.35	Calculated Property
η	0.0008622	Pa×s	440.22	Calculated Property
η	0.0004628	Pa×s	464.09	Calculated Property
η	0.0002640	Pa×s	487.96	Calculated Property
η	0.0001587	Pa×s	511.83	Calculated Property
η	0.0000998	Pa×s	535.70	Calculated Property
η	0.0000653	Pa×s	559.57	Calculated Property
η	0.0000443	Pa×s	583.45	Calculated Property

Similar Compounds

Find more compounds similar to Glycerine mono-alpha,alpha-dichloropropionate.

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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