Chemical Properties of Trichloroacetamide, N,N-bis(2-ethylhexyl)-

InChI

InChI=1S/C18H34Cl3NO/c1-5-9-11-15(7-3)13-22(17(23)18(19,20)21)14-16(8-4)12-10-6-2/h15-16H,5-14H2,1-4H3

InChI Key

AQTKUBSOCLDIJW-UHFFFAOYSA-N

Formula

C18H34Cl3NO

SMILES

CCCCC(CC)CN(CC(CC)CCCC)C(=O)C(Cl)(Cl)Cl

Molecular Weight¹

386.83

• ω : Acentric Factor.
• 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.
• 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	0.7347		Relay (1.0) Calculated Property
ΔfH°gas	-575.38	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	45.13	kJ/mol	Joback Calculated Property
ΔvapH°	86.68	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.77		Relay (1.0) Calculated Property
logPoct/wat	6.618		Crippen Calculated Property
McVol	312.750	ml/mol	McGowan Calculated Property
Pc	1140.57	kPa	Joback Calculated Property
Inp	[2188.00; 2188.00]
Inp	2188.00		NIST
Inp	2188.00		NIST
Tboil	613.35	K	Relay (1.0) Calculated Property
Tc	808.46	K	Relay (1.0) Calculated Property
Tfus	248.51	K	Relay (1.0) Calculated Property
Vc	1.119	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, 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	[441.89; 1002.37]	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			-5.97000e+00
Coefficient B			1.96778e+00
Coefficient C			-1.28870e-03
Coefficient D			3.29260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	441.89	J/mol×K	273.00	Calculated Property
Cp,gas	543.47	J/mol×K	353.78	Calculated Property
Cp,gas	632.80	J/mol×K	434.56	Calculated Property
Cp,gas	710.92	J/mol×K	515.33	Calculated Property
Cp,gas	778.85	J/mol×K	596.11	Calculated Property
Cp,gas	837.66	J/mol×K	676.89	Calculated Property
Cp,gas	888.37	J/mol×K	757.67	Calculated Property
Cp,gas	932.03	J/mol×K	838.44	Calculated Property
Cp,gas	969.69	J/mol×K	919.22	Calculated Property
Cp,gas	1002.37	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Trichloroacetamide, N,N-bis(2-ethylhexyl)-.

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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