Chemical Properties of Heptadecyl trichloroacetate

InChI

InChI=1S/C19H35Cl3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-18(23)19(20,21)22/h2-17H2,1H3

InChI Key

VNNJRRWQDZVURW-UHFFFAOYSA-N

Formula

C19H35Cl3O2

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(Cl)(Cl)Cl

Molecular Weight¹

401.84

• 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.
• 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

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[463.63; 1033.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			2.52260e+01
Coefficient B			1.90022e+00
Coefficient C			-1.14820e-03
Coefficient D			2.56700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	463.63	J/mol×K	273.00	Calculated Property
Cp,gas	565.14	J/mol×K	353.78	Calculated Property
Cp,gas	655.22	J/mol×K	434.56	Calculated Property
Cp,gas	734.68	J/mol×K	515.33	Calculated Property
Cp,gas	804.33	J/mol×K	596.11	Calculated Property
Cp,gas	865.00	J/mol×K	676.89	Calculated Property
Cp,gas	917.48	J/mol×K	757.67	Calculated Property
Cp,gas	962.59	J/mol×K	838.44	Calculated Property
Cp,gas	1001.14	J/mol×K	919.22	Calculated Property
Cp,gas	1033.95	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011016; 0.0000730]	Pa×s	[438.40; 692.35]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.42099e+01
Coefficient B			3.24370e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			438.40
Temperature range, max.			692.35
η	0.0011016	Pa×s	438.40	Calculated Property
η	0.0007042	Pa×s	466.62	Calculated Property
η	0.0004738	Pa×s	494.83	Calculated Property
η	0.0003326	Pa×s	523.05	Calculated Property
η	0.0002422	Pa×s	551.27	Calculated Property
η	0.0001818	Pa×s	579.48	Calculated Property
η	0.0001402	Pa×s	607.70	Calculated Property
η	0.0001107	Pa×s	635.92	Calculated Property
η	0.0000891	Pa×s	664.14	Calculated Property
η	0.0000730	Pa×s	692.35	Calculated Property

Similar Compounds

Find more compounds similar to Heptadecyl trichloroacetate.

Sources

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

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