Chemical Properties of Trichloroacetic acid, decyl ester (CAS 65611-33-8)

InChI

InChI=1S/C12H21Cl3O2/c1-2-3-4-5-6-7-8-9-10-17-11(16)12(13,14)15/h2-10H2,1H3

InChI Key

JVOWHDCGJSEUMO-UHFFFAOYSA-N

Formula

C12H21Cl3O2

SMILES

CCCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

303.65

CAS

65611-33-8

Other Names

• Decyl trichloroacetate

• ω : Acentric Factor.
• 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_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
ω	0.6689		Relay (1.0) Calculated Property
ΔfH°gas	-623.39	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.38	kJ/mol	Joback Calculated Property
ΔvapH°	77.57	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-5.98		Relay (1.0) Calculated Property
logPoct/wat	5.041		Crippen Calculated Property
McVol	224.100	ml/mol	McGowan Calculated Property
Pc	1656.49	kPa	Joback Calculated Property
Inp	[1760.00; 1771.00]
Inp	1762.70		NIST
Inp	1762.70		NIST
Inp	1771.00		NIST
Inp	1760.00		NIST
Inp	1760.00		NIST
I	[2160.00; 2160.00]
I	2160.00		NIST
I	2160.00		NIST
Tboil	552.78	K	Relay (1.0) Calculated Property
Tc	751.22	K	Relay (1.0) Calculated Property
Tfus	264.90	K	Relay (1.0) Calculated Property
Vc	0.842	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.93; 627.64]	J/mol×K	[641.44; 831.03]
Cp,gas	553.93	J/mol×K	641.44	Joback Calculated Property
Cp,gas	568.19	J/mol×K	673.04	Joback Calculated Property
Cp,gas	581.61	J/mol×K	704.64	Joback Calculated Property
Cp,gas	594.24	J/mol×K	736.23	Joback Calculated Property
Cp,gas	606.09	J/mol×K	767.83	Joback Calculated Property
Cp,gas	617.22	J/mol×K	799.43	Joback Calculated Property
Cp,gas	627.64	J/mol×K	831.03	Joback Calculated Property
η	[0.0001153; 0.0027178]	Pa×s	[359.51; 641.44]
η	0.0027178	Pa×s	359.51	Joback Calculated Property
η	0.0011839	Pa×s	406.50	Joback Calculated Property
η	0.0006126	Pa×s	453.49	Joback Calculated Property
η	0.0003588	Pa×s	500.48	Joback Calculated Property
η	0.0002303	Pa×s	547.46	Joback Calculated Property
η	0.0001586	Pa×s	594.45	Joback Calculated Property
η	0.0001153	Pa×s	641.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetic acid, decyl ester.

Sources

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

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