Chemical Properties of Acetic acid, chloro-, 1,1-dimethylethyl ester (CAS 107-59-5)

InChI

InChI=1S/C6H11ClO2/c1-6(2,3)9-5(8)4-7/h4H2,1-3H3

InChI Key

KUYMVWXKHQSIAS-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CC(C)(C)OC(=O)CCl

Molecular Weight¹

150.60

CAS

107-59-5

Other Names

• Acetic acid, chloro-, tert-butyl ester
• tert-Butyl Chloroacetate
• Chloroacetic acid tert-butyl ester
• ClCH2C(O)OC(CH3)3

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• 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 Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[161.05; 346.72]	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			1.12610e+01
Coefficient B			6.51660e-01
Coefficient C			-4.00200e-04
Coefficient D			8.40000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.05	J/mol×K	273.00	Calculated Property
Cp,gas	195.43	J/mol×K	353.78	Calculated Property
Cp,gas	225.76	J/mol×K	434.56	Calculated Property
Cp,gas	252.30	J/mol×K	515.33	Calculated Property
Cp,gas	275.31	J/mol×K	596.11	Calculated Property
Cp,gas	295.05	J/mol×K	676.89	Calculated Property
Cp,gas	311.80	J/mol×K	757.67	Calculated Property
Cp,gas	325.82	J/mol×K	838.44	Calculated Property
Cp,gas	337.37	J/mol×K	919.22	Calculated Property
Cp,gas	346.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0083163; 0.0002843]	Pa×s	[232.05; 435.48]	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			-1.20163e+01
Coefficient B			1.67698e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			232.05
Temperature range, max.			435.48
η	0.0083163	Pa×s	232.05	Calculated Property
η	0.0043788	Pa×s	254.65	Calculated Property
η	0.0025597	Pa×s	277.26	Calculated Property
η	0.0016225	Pa×s	299.86	Calculated Property
η	0.0010963	Pa×s	322.46	Calculated Property
η	0.0007798	Pa×s	345.07	Calculated Property
η	0.0005784	Pa×s	367.67	Calculated Property
η	0.0004441	Pa×s	390.27	Calculated Property
η	0.0003510	Pa×s	412.87	Calculated Property
η	0.0002843	Pa×s	435.48	Calculated Property

Similar Compounds

Find more compounds similar to Acetic acid, chloro-, 1,1-dimethylethyl ester.

Sources

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

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