Chemical Properties of Trichloroacetic acid, hexyl ester (CAS 37587-86-3)

InChI

InChI=1S/C8H13Cl3O2/c1-2-3-4-5-6-13-7(12)8(9,10)11/h2-6H2,1H3

InChI Key

UJGLOWVVUOBEJU-UHFFFAOYSA-N

Formula

C8H13Cl3O2

SMILES

CCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

247.55

CAS

37587-86-3

Other Names

• Hexyl trichloroacetate

• 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_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
ΔfG°	-250.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-509.22	kJ/mol	Joback Calculated Property
ΔfusH°	24.44	kJ/mol	Joback Calculated Property
ΔvapH°	54.42	kJ/mol	Joback Calculated Property
log10WS	-3.60		Crippen Calculated Property
logPoct/wat	3.480		Crippen Calculated Property
McVol	167.740	ml/mol	McGowan Calculated Property
Pc	2421.88	kPa	Joback Calculated Property
Inp	[1315.00; 1380.00]
Inp	Outlier 1315.00		NIST
Inp	1350.00		NIST
Inp	1358.00		NIST
Inp	1361.00		NIST
Inp	1367.00		NIST
Inp	1340.00		NIST
Inp	1359.00		NIST
Inp	1380.00		NIST
Inp	1339.70		NIST
Inp	1366.70		NIST
Inp	1372.00		NIST
Inp	1353.00		NIST
Inp	1353.00		NIST
Inp	Outlier 1315.00		NIST
Inp	1340.00		NIST
Inp	1372.00		NIST
I	[1726.00; 1766.00]
I	1726.00		NIST
I	1734.00		NIST
I	1766.00		NIST
I	1741.00		NIST
I	1726.00		NIST
Tboil	567.79	K	Joback Calculated Property
Tc	769.47	K	Joback Calculated Property
Tfus	344.26	K	Joback Calculated Property
Vc	0.643	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[363.45; 422.23]	J/mol×K	[567.79; 769.47]
Cp,gas	363.45	J/mol×K	567.79	Joback Calculated Property
Cp,gas	374.85	J/mol×K	601.40	Joback Calculated Property
Cp,gas	385.58	J/mol×K	635.02	Joback Calculated Property
Cp,gas	395.65	J/mol×K	668.63	Joback Calculated Property
Cp,gas	405.09	J/mol×K	702.24	Joback Calculated Property
Cp,gas	413.95	J/mol×K	735.85	Joback Calculated Property
Cp,gas	422.23	J/mol×K	769.47	Joback Calculated Property
η	[0.0002194; 0.0026742]	Pa×s	[344.26; 567.79]
η	0.0026742	Pa×s	344.26	Joback Calculated Property
η	0.0014383	Pa×s	381.51	Joback Calculated Property
η	0.0008638	Pa×s	418.77	Joback Calculated Property
η	0.0005639	Pa×s	456.02	Joback Calculated Property
η	0.0003926	Pa×s	493.28	Joback Calculated Property
η	0.0002876	Pa×s	530.53	Joback Calculated Property
η	0.0002194	Pa×s	567.79	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, hexyl 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.