Chemical Properties of Trichlamide (CAS 70193-21-4)

InChI

InChI=1S/C13H16Cl3NO3/c1-2-3-8-20-12(13(14,15)16)17-11(19)9-6-4-5-7-10(9)18/h4-7,12,18H,2-3,8H2,1H3,(H,17,19)

InChI Key

NHTFLYKPEGXOAN-UHFFFAOYSA-N

Formula

C13H16Cl3NO3

SMILES

CCCCOC(NC(=O)c1ccccc1O)C(Cl)(Cl)Cl

Molecular Weight¹

340.63

CAS

70193-21-4

Other Names

• N-(1-Butoxy-2,2,2-trichloroethyl)salicylamide
• WL 105305
• N-(1-Butoxy-2,2,2-trichloroethyl)-2-hydroxybenzamide
• NK 483
• Hataclean
• Benzamide, N-(1-butoxy-2,2,2-trichloroethyl)-2-hydroxy-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-589.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.79	kJ/mol	Joback Calculated Property
ΔvapH°	95.46	kJ/mol	Relay (1.0) Calculated Property
log10WS	-4.49		Relay (1.0) Calculated Property
logPoct/wat	3.635		Crippen Calculated Property
McVol	230.280	ml/mol	McGowan Calculated Property
Pc	2472.73	kPa	Joback Calculated Property
Inp	[2079.00; 2079.00]
Inp	2079.00		NIST
Inp	2079.00		NIST
I	[3151.00; 3151.00]
I	3151.00		NIST
I	3151.00		NIST
Tboil	609.17	K	Relay (1.0) Calculated Property
Tfus	353.72	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[311.84; 665.13]	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			-7.58700e+00
Coefficient B			1.45162e+00
Coefficient C			-1.12606e-03
Coefficient D			3.47160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.84	J/mol×K	273.00	Calculated Property
Cp,gas	380.40	J/mol×K	353.78	Calculated Property
Cp,gas	439.07	J/mol×K	434.56	Calculated Property
Cp,gas	488.95	J/mol×K	515.33	Calculated Property
Cp,gas	531.13	J/mol×K	596.11	Calculated Property
Cp,gas	566.73	J/mol×K	676.89	Calculated Property
Cp,gas	596.83	J/mol×K	757.67	Calculated Property
Cp,gas	622.53	J/mol×K	838.44	Calculated Property
Cp,gas	644.93	J/mol×K	919.22	Calculated Property
Cp,gas	665.13	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trichlamide.

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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