Chemical Properties of 2,2,2-Trichloroethyl octadecanoate

InChI

InChI=1S/C20H37Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)25-18-20(21,22)23/h2-18H2,1H3

InChI Key

LFXBJDVOZVVFHT-UHFFFAOYSA-N

Formula

C20H37Cl3O2

SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC(Cl)(Cl)Cl

Molecular Weight¹

415.87

• 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	0.9839		Relay (1.0) Calculated Property
ΔfH°gas	-818.28	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.10	kJ/mol	Joback Calculated Property
ΔvapH°	111.65	kJ/mol	Relay (1.0) Calculated Property
IE	10.30	eV	Relay (1.0) Calculated Property
log10WS	-8.33		Relay (1.0) Calculated Property
logPoct/wat	8.161		Crippen Calculated Property
McVol	336.820	ml/mol	McGowan Calculated Property
Pc	961.48	kPa	Joback Calculated Property
Inp	[2575.00; 2582.00]
Inp	2575.00		NIST
Inp	2582.00		NIST
Inp	2575.00		NIST
Inp	2582.00		NIST
I	[2969.00; 2988.00]
I	2969.00		NIST
I	2969.00		NIST
I	2975.00		NIST
I	2988.00		NIST
I	2980.00		NIST
I	2980.00		NIST
Tboil	622.77	K	Relay (1.0) Calculated Property
Tc	827.31	K	Relay (1.0) Calculated Property
Tfus	320.41	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	[1002.39; 1091.00]	J/mol×K	[824.48; 1013.98]
Cp,gas	1002.39	J/mol×K	824.48	Joback Calculated Property
Cp,gas	1019.54	J/mol×K	856.06	Joback Calculated Property
Cp,gas	1035.68	J/mol×K	887.65	Joback Calculated Property
Cp,gas	1050.84	J/mol×K	919.23	Joback Calculated Property
Cp,gas	1065.08	J/mol×K	950.82	Joback Calculated Property
Cp,gas	1078.45	J/mol×K	982.40	Joback Calculated Property
Cp,gas	1091.00	J/mol×K	1013.98	Joback Calculated Property
η	[0.0000328; 0.0009570]	Pa×s	[449.67; 824.48]
η	0.0009570	Pa×s	449.67	Joback Calculated Property
η	0.0003870	Pa×s	512.14	Joback Calculated Property
η	0.0001905	Pa×s	574.61	Joback Calculated Property
η	0.0001078	Pa×s	637.08	Joback Calculated Property
η	0.0000675	Pa×s	699.54	Joback Calculated Property
η	0.0000457	Pa×s	762.01	Joback Calculated Property
η	0.0000328	Pa×s	824.48	Joback Calculated Property

Similar Compounds

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

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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