Chemical Properties of «beta»-Chloropropionaldehyde diethyl acetal (CAS 35573-93-4)

InChI

InChI=1S/C7H15ClO2/c1-3-9-7(5-6-8)10-4-2/h7H,3-6H2,1-2H3

InChI Key

NXHONHDWVLPPCS-UHFFFAOYSA-N

Formula

C7H15ClO2

SMILES

CCOC(CCCl)OCC

Molecular Weight¹

166.65

CAS

35573-93-4

Other Names

• 3-Chloro-1,1-diethoxypropane
• Propane, 3-chloro-1,1-diethoxy-
• 3-Chloropropionaldehyde diethyl acetal
• Propionaldehyde, 3-chloro-, diethyl acetal

• 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_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (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, 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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.88; 426.27]	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			5.87340e+01
Coefficient B			5.55140e-01
Coefficient C			-1.58600e-04
Coefficient D			-2.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.88	J/mol×K	273.00	Calculated Property
Cp,gas	234.00	J/mol×K	353.78	Calculated Property
Cp,gas	267.64	J/mol×K	434.56	Calculated Property
Cp,gas	298.73	J/mol×K	515.33	Calculated Property
Cp,gas	327.16	J/mol×K	596.11	Calculated Property
Cp,gas	352.84	J/mol×K	676.89	Calculated Property
Cp,gas	375.69	J/mol×K	757.67	Calculated Property
Cp,gas	395.60	J/mol×K	838.44	Calculated Property
Cp,gas	412.49	J/mol×K	919.22	Calculated Property
Cp,gas	426.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0041725; 0.0002192]	Pa×s	[228.03; 431.99]	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			-1.17191e+01
Coefficient B			1.42288e+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.			228.03
Temperature range, max.			431.99
η	0.0041725	Pa×s	228.03	Calculated Property
η	0.0023737	Pa×s	250.69	Calculated Property
η	0.0014827	Pa×s	273.35	Calculated Property
η	0.0009954	Pa×s	296.02	Calculated Property
η	0.0007072	Pa×s	318.68	Calculated Property
η	0.0005258	Pa×s	341.34	Calculated Property
η	0.0004056	Pa×s	364.00	Calculated Property
η	0.0003226	Pa×s	386.67	Calculated Property
η	0.0002631	Pa×s	409.33	Calculated Property
η	0.0002192	Pa×s	431.99	Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Chloropropionaldehyde diethyl acetal.

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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