Chemical Properties of 2,2,2-Trichloroethyl decanoate

InChI

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

InChI Key

APCZNNVIRSIKPK-UHFFFAOYSA-N

Formula

C12H21Cl3O2

SMILES

CCCCCCCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

303.65

Other Names

• Decanoic acid, 2,2,2-trichloroethyl ester

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.6945		Relay (1.0) Calculated Property
ΔfH°gas	-648.90	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.38	kJ/mol	Joback Calculated Property
ΔvapH°	77.97	kJ/mol	Relay (1.0) Calculated Property
IE	10.25	eV	Relay (1.0) Calculated Property
log10WS	-5.77		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; 1779.00]
Inp	1778.00		NIST
Inp	1776.00		NIST
Inp	1778.00		NIST
Inp	1776.00		NIST
Inp	1779.00		NIST
Inp	1760.00		NIST
Inp	1776.00		NIST
Inp	1778.00		NIST
Inp	1760.00		NIST
I	[2126.00; 2183.00]
I	2126.00		NIST
I	2140.00		NIST
I	2144.00		NIST
I	2160.00		NIST
I	2163.00		NIST
I	2183.00		NIST
I	2142.00		NIST
Tboil	561.26	K	Relay (1.0) Calculated Property
Tc	756.21	K	Relay (1.0) Calculated Property
Tfus	294.89	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them 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 2,2,2-Trichloroethyl decanoate.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.