Chemical Properties of Dichloroacetic acid 2-methylpropyl ester (CAS 37079-08-6)

InChI

InChI=1S/C6H10Cl2O2/c1-4(2)3-10-6(9)5(7)8/h4-5H,3H2,1-2H3

InChI Key

XLKJPQKUATYFQJ-UHFFFAOYSA-N

Formula

C6H10Cl2O2

SMILES

CC(C)COC(=O)C(Cl)Cl

Molecular Weight¹

185.05

CAS

37079-08-6

Other Names

• Acetic acid, dichloro, 2-methylpropyl ester
• Acetic acid, dichloro, isobutyl ester
• Isobutyl dichloroacetate

• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_liquid : Liquid phase 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-3278.70; -3274.00]	kJ/mol
ΔcH°liquid	-3278.70 ± 4.20	kJ/mol	NIST
ΔcH°liquid	-3274.00	kJ/mol	NIST
ΔfG°	-263.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-501.70 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-554.00 ± 8.40	kJ/mol	NIST
ΔfusH°	15.43	kJ/mol	Joback Calculated Property
ΔvapH°	52.30 ± 4.20	kJ/mol	NIST
log10WS	-1.87		Crippen Calculated Property
logPoct/wat	1.989		Crippen Calculated Property
McVol	127.320	ml/mol	McGowan Calculated Property
Pc	3065.95	kPa	Joback Calculated Property
Inp	[1028.80; 1030.00]
Inp	1028.80		NIST
Inp	1030.00		NIST
Inp	1030.00		NIST
I	[1458.00; 1458.00]
I	1458.00		NIST
I	1458.00		NIST
Tboil	486.95	K	Joback Calculated Property
Tc	685.84	K	Joback Calculated Property
Tfus	259.38	K	Joback Calculated Property
Vc	0.481	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[249.45; 301.92]	J/mol×K	[486.95; 685.84]
Cp,gas	249.45	J/mol×K	486.95	Joback Calculated Property
Cp,gas	259.28	J/mol×K	520.10	Joback Calculated Property
Cp,gas	268.68	J/mol×K	553.25	Joback Calculated Property
Cp,gas	277.63	J/mol×K	586.39	Joback Calculated Property
Cp,gas	286.16	J/mol×K	619.54	Joback Calculated Property
Cp,gas	294.25	J/mol×K	652.69	Joback Calculated Property
Cp,gas	301.92	J/mol×K	685.84	Joback Calculated Property
η	[0.0002759; 0.0055114]	Pa×s	[259.38; 486.95]
η	0.0055114	Pa×s	259.38	Joback Calculated Property
η	0.0024337	Pa×s	297.31	Joback Calculated Property
η	0.0012930	Pa×s	335.24	Joback Calculated Property
η	0.0007812	Pa×s	373.16	Joback Calculated Property
η	0.0005180	Pa×s	411.09	Joback Calculated Property
η	0.0003681	Pa×s	449.02	Joback Calculated Property
η	0.0002759	Pa×s	486.95	Joback Calculated Property
ΔvapH	51.40	kJ/mol	378.50	NIST

Similar Compounds

Find more compounds similar to Dichloroacetic acid 2-methylpropyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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