Chemical Properties of 1,3-Dioxolane, 2-(chloromethyl)-

InChI

InChI=1S/C4H7ClO2/c5-3-4-6-1-2-7-4/h4H,1-3H2

InChI Key

IKZOMJGRWIOEDP-UHFFFAOYSA-N

Formula

C4H7ClO2

SMILES

ClCC1OCCO1

Molecular Weight¹

122.55

Other Names

• Chloroacetaldehyde ethylene acetal
• 2-(Chloromethyl)-1,3-dioxolane

• 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).
• 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_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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[105.24; 256.30]	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			-1.36990e+01
Coefficient B			5.16300e-01
Coefficient C			-3.13800e-04
Coefficient D			6.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	105.24	J/mol×K	273.00	Calculated Property
Cp,gas	132.67	J/mol×K	353.78	Calculated Property
Cp,gas	156.94	J/mol×K	434.56	Calculated Property
Cp,gas	178.27	J/mol×K	515.33	Calculated Property
Cp,gas	196.86	J/mol×K	596.11	Calculated Property
Cp,gas	212.94	J/mol×K	676.89	Calculated Property
Cp,gas	226.70	J/mol×K	757.67	Calculated Property
Cp,gas	238.38	J/mol×K	838.44	Calculated Property
Cp,gas	248.17	J/mol×K	919.22	Calculated Property
Cp,gas	256.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049320; 0.0004194]	Pa×s	[228.80; 424.56]	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			-1.06575e+01
Coefficient B			1.22304e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			228.80
Temperature range, max.			424.56
η	0.0049320	Pa×s	228.80	Calculated Property
η	0.0031009	Pa×s	250.55	Calculated Property
η	0.0020996	Pa×s	272.30	Calculated Property
η	0.0015061	Pa×s	294.05	Calculated Property
η	0.0011310	Pa×s	315.80	Calculated Property
η	0.0008812	Pa×s	337.56	Calculated Property
η	0.0007076	Pa×s	359.31	Calculated Property
η	0.0005827	Pa×s	381.06	Calculated Property
η	0.0004900	Pa×s	402.81	Calculated Property
η	0.0004194	Pa×s	424.56	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Dioxolane, 2-(chloromethyl)-.

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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