Chemical Properties of trichloroacetic acid, stearyl ester

InChI

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

InChI Key

SHVKFBUBFSLWFV-UHFFFAOYSA-N

Formula

C20H37Cl3O2

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

415.87

Other Names

• Octadecyl 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	0.9612		Relay (1.0) Calculated Property
ΔfH°gas	-792.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	57.10	kJ/mol	Joback Calculated Property
ΔvapH°	111.05	kJ/mol	Relay (1.0) Calculated Property
IE	10.33	eV	Relay (1.0) Calculated Property
log10WS	-8.45		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	[2571.00; 2588.00]
Inp	2571.00		NIST
Inp	2588.00		NIST
Inp	2571.00		NIST
Inp	2588.00		NIST
I	2987.00		NIST
Tboil	616.01	K	Relay (1.0) Calculated Property
Tc	823.06	K	Relay (1.0) Calculated Property
Tfus	298.86	K	Relay (1.0) Calculated Property
Vc	1.288	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	[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 trichloroacetic acid, stearyl ester.

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.