Chemical Properties of Acetic acid, chloro-, 1-methyl-1,2-ethanediyl ester (CAS 42831-64-1)

InChI

InChI=1S/C7H10Cl2O4/c1-5(13-7(11)3-9)4-12-6(10)2-8/h5H,2-4H2,1H3

InChI Key

RVKVLMMCZLSUGU-UHFFFAOYSA-N

Formula

C7H10Cl2O4

SMILES

CC(COC(=O)CCl)OC(=O)CCl

Molecular Weight¹

229.06

CAS

42831-64-1

Other Names

• 1,2-Bis(chloroacetoxy)propane
• Chloroacetic acid, 1,2-propanediol diester

• 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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 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	[213.15; 413.76]	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			7.14430e+01
Coefficient B			5.78720e-01
Coefficient C			-2.11800e-04
Coefficient D			-2.46000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	213.15	J/mol×K	273.00	Calculated Property
Cp,gas	248.58	J/mol×K	353.78	Calculated Property
Cp,gas	280.91	J/mol×K	434.56	Calculated Property
Cp,gas	310.06	J/mol×K	515.33	Calculated Property
Cp,gas	335.95	J/mol×K	596.11	Calculated Property
Cp,gas	358.50	J/mol×K	676.89	Calculated Property
Cp,gas	377.63	J/mol×K	757.67	Calculated Property
Cp,gas	393.27	J/mol×K	838.44	Calculated Property
Cp,gas	405.34	J/mol×K	919.22	Calculated Property
Cp,gas	413.76	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0049184; 0.0002313]	Pa×s	[298.15; 521.23]	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			-1.24570e+01
Coefficient B			2.12946e+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.			298.15
Temperature range, max.			521.23
η	0.0049184	Pa×s	298.15	Calculated Property
η	0.0028428	Pa×s	322.94	Calculated Property
η	0.0017767	Pa×s	347.72	Calculated Property
η	0.0011820	Pa×s	372.51	Calculated Property
η	0.0008275	Pa×s	397.30	Calculated Property
η	0.0006040	Pa×s	422.08	Calculated Property
η	0.0004566	Pa×s	446.87	Calculated Property
η	0.0003554	Pa×s	471.66	Calculated Property
η	0.0002837	Pa×s	496.45	Calculated Property
η	0.0002313	Pa×s	521.23	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, chloro-, 1-methyl-1,2-ethanediyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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