Chemical Properties of Trichloroaetic acid isopropyl ester (CAS 3974-99-0)

InChI

InChI=1S/C5H7Cl3O2/c1-3(2)10-4(9)5(6,7)8/h3H,1-2H3

InChI Key

JYXIYFNAIFVCAN-UHFFFAOYSA-N

Formula

C5H7Cl3O2

SMILES

CC(C)OC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

205.47

CAS

3974-99-0

Other Names

• Acetic acid, trichloro-, 1-methylethyl ester
• Acetic acid, trichloro-, isopropyl ester
• Isopropyl trichloroacetate
• 1-Methylethyl trichloroacetate
• Trichloroacetic acid, isopropyl ester

• 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	[-2500.90; -2492.00]	kJ/mol
ΔcH°liquid	-2500.90 ± 4.20	kJ/mol	NIST
ΔcH°liquid	-2492.00	kJ/mol	NIST
ΔfG°	-278.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-484.50 ± 9.60	kJ/mol	NIST
ΔfH°liquid	-536.40 ± 8.40	kJ/mol	NIST
ΔfusH°	13.15	kJ/mol	Joback Calculated Property
ΔvapH°	51.90 ± 4.20	kJ/mol	NIST
log10WS	-2.45		Crippen Calculated Property
logPoct/wat	2.308		Crippen Calculated Property
McVol	125.470	ml/mol	McGowan Calculated Property
Pc	3318.18	kPa	Joback Calculated Property
Inp	[995.00; 995.90]
Inp	995.90		NIST
Inp	995.00		NIST
Inp	995.00		NIST
Inp	995.00		NIST
I	[1312.00; 1312.00]
I	1312.00		NIST
I	1312.00		NIST
I	1312.00		NIST
Tboil	498.71	K	Joback Calculated Property
Tc	714.64	K	Joback Calculated Property
Tfus	295.45	K	Joback Calculated Property
Vc	0.469	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[234.95; 278.53]	J/mol×K	[498.71; 714.64]
Cp,gas	234.95	J/mol×K	498.71	Joback Calculated Property
Cp,gas	243.58	J/mol×K	534.70	Joback Calculated Property
Cp,gas	251.62	J/mol×K	570.69	Joback Calculated Property
Cp,gas	259.12	J/mol×K	606.67	Joback Calculated Property
Cp,gas	266.09	J/mol×K	642.66	Joback Calculated Property
Cp,gas	272.55	J/mol×K	678.65	Joback Calculated Property
Cp,gas	278.53	J/mol×K	714.64	Joback Calculated Property
η	[0.0003020; 0.0043997]	Pa×s	[295.45; 498.71]
η	0.0043997	Pa×s	295.45	Joback Calculated Property
η	0.0022377	Pa×s	329.33	Joback Calculated Property
η	0.0012911	Pa×s	363.20	Joback Calculated Property
η	0.0008182	Pa×s	397.08	Joback Calculated Property
η	0.0005571	Pa×s	430.96	Joback Calculated Property
η	0.0004011	Pa×s	464.83	Joback Calculated Property
η	0.0003020	Pa×s	498.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroaetic acid isopropyl ester.

Sources

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

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