Chemical Properties of Trichloroacetic acid 3-methylbutyl ester (CAS 57392-55-9)

InChI

InChI=1S/C7H11Cl3O2/c1-5(2)3-4-12-6(11)7(8,9)10/h5H,3-4H2,1-2H3

InChI Key

HBNLTLLITHPMDZ-UHFFFAOYSA-N

Formula

C7H11Cl3O2

SMILES

CC(C)CCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

233.52

CAS

57392-55-9

Other Names

• Acetic acid, trichloro-, 3-methylbutyl ester
• 3-Methylbutyl trichloroacetate
• Isopentyl trichloroacetate

• 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).
• 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	[-3811.70; -3805.00]	kJ/mol
ΔcH°liquid	-3811.70 ± 4.20	kJ/mol	NIST
ΔcH°liquid	-3805.00	kJ/mol	NIST
ΔfG°	-261.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-523.40 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-581.20 ± 8.40	kJ/mol	NIST
ΔfusH°	18.33	kJ/mol	Joback Calculated Property
ΔvapH°	57.70 ± 4.20	kJ/mol	NIST
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	2.946		Crippen Calculated Property
McVol	153.650	ml/mol	McGowan Calculated Property
Pc	2690.21	kPa	Joback Calculated Property
Inp	[1203.30; 1208.00]
Inp	1203.30		NIST
Inp	1208.00		NIST
Inp	1208.00		NIST
Inp	1208.00		NIST
I	[1532.00; 1532.00]
I	1532.00		NIST
I	1532.00		NIST
I	1532.00		NIST
Tboil	544.47	K	Joback Calculated Property
Tc	753.60	K	Joback Calculated Property
Tfus	317.99	K	Joback Calculated Property
Vc	0.582	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[319.04; 374.25]	J/mol×K	[544.47; 753.60]
Cp,gas	319.04	J/mol×K	544.47	Joback Calculated Property
Cp,gas	329.84	J/mol×K	579.32	Joback Calculated Property
Cp,gas	339.96	J/mol×K	614.18	Joback Calculated Property
Cp,gas	349.44	J/mol×K	649.03	Joback Calculated Property
Cp,gas	358.30	J/mol×K	683.89	Joback Calculated Property
Cp,gas	366.56	J/mol×K	718.74	Joback Calculated Property
Cp,gas	374.25	J/mol×K	753.60	Joback Calculated Property
η	[0.0002349; 0.0038109]	Pa×s	[317.99; 544.47]
η	0.0038109	Pa×s	317.99	Joback Calculated Property
η	0.0018721	Pa×s	355.74	Joback Calculated Property
η	0.0010540	Pa×s	393.48	Joback Calculated Property
η	0.0006562	Pa×s	431.23	Joback Calculated Property
η	0.0004410	Pa×s	468.98	Joback Calculated Property
η	0.0003144	Pa×s	506.72	Joback Calculated Property
η	0.0002349	Pa×s	544.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid 3-methylbutyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.