Chemical Properties of 2,2,2-Trichloroethyl undecanoate

InChI

InChI=1S/C13H23Cl3O2/c1-2-3-4-5-6-7-8-9-10-12(17)18-11-13(14,15)16/h2-11H2,1H3

InChI Key

ZBXABUUOULPNKG-UHFFFAOYSA-N

Formula

C13H23Cl3O2

SMILES

CCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

317.68

• 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	0.7323		Relay (1.0) Calculated Property
ΔfH°gas	-670.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.97	kJ/mol	Joback Calculated Property
ΔvapH°	82.22	kJ/mol	Relay (1.0) Calculated Property
IE	10.23	eV	Relay (1.0) Calculated Property
log10WS	-6.17		Relay (1.0) Calculated Property
logPoct/wat	5.431		Crippen Calculated Property
McVol	238.190	ml/mol	McGowan Calculated Property
Pc	1534.26	kPa	Joback Calculated Property
Inp	[1875.00; 1877.00]
Inp	1875.00		NIST
Inp	1877.00		NIST
Inp	1877.00		NIST
Inp	1876.00		NIST
Inp	1875.00		NIST
Inp	1875.00		NIST
I	[2224.00; 2281.00]
I	2224.00		NIST
I	2237.00		NIST
I	2240.00		NIST
I	2260.00		NIST
I	2264.00		NIST
I	2281.00		NIST
I	2244.00		NIST
Tboil	570.49	K	Relay (1.0) Calculated Property
Tc	767.50	K	Relay (1.0) Calculated Property
Tfus	299.68	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	[606.02; 682.15]	J/mol×K	[664.32; 852.22]
Cp,gas	606.02	J/mol×K	664.32	Joback Calculated Property
Cp,gas	620.73	J/mol×K	695.64	Joback Calculated Property
Cp,gas	634.58	J/mol×K	726.95	Joback Calculated Property
Cp,gas	647.62	J/mol×K	758.27	Joback Calculated Property
Cp,gas	659.87	J/mol×K	789.59	Joback Calculated Property
Cp,gas	671.37	J/mol×K	820.90	Joback Calculated Property
Cp,gas	682.15	J/mol×K	852.22	Joback Calculated Property
η	[0.0000992; 0.0024143]	Pa×s	[370.78; 664.32]
η	0.0024143	Pa×s	370.78	Joback Calculated Property
η	0.0010401	Pa×s	419.70	Joback Calculated Property
η	0.0005342	Pa×s	468.63	Joback Calculated Property
η	0.0003112	Pa×s	517.55	Joback Calculated Property
η	0.0001990	Pa×s	566.47	Joback Calculated Property
η	0.0001367	Pa×s	615.40	Joback Calculated Property
η	0.0000992	Pa×s	664.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,2,2-Trichloroethyl undecanoate.

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.
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