Chemical Properties of Benzamide, 4-ethyl-N-butyl-N-2-ethylhexyl-

InChI

InChI=1S/C21H35NO/c1-5-9-11-19(8-4)17-22(16-10-6-2)21(23)20-14-12-18(7-3)13-15-20/h12-15,19H,5-11,16-17H2,1-4H3

InChI Key

YGEZUWMXCWXCED-UHFFFAOYSA-N

Formula

C21H35NO

SMILES

CCCCC(CC)CN(CCCC)C(=O)c1ccc(CC)cc1

Molecular Weight¹

317.52

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	44.89	kJ/mol	Joback Calculated Property
log10WS	-5.84		Relay (1.0) Calculated Property
logPoct/wat	5.708		Crippen Calculated Property
McVol	294.540	ml/mol	McGowan Calculated Property
Pc	1232.01	kPa	Joback Calculated Property
Inp	[2993.00; 2993.00]
Inp	2993.00		NIST
Inp	2993.00		NIST
Tboil	641.03	K	Relay (1.0) Calculated Property
Tfus	250.57	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[412.38; 1008.76]	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			-4.08210e+01
Coefficient B			1.96228e+00
Coefficient C			-1.17986e-03
Coefficient D			2.67160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	412.38	J/mol×K	273.00	Calculated Property
Cp,gas	517.55	J/mol×K	353.78	Calculated Property
Cp,gas	611.02	J/mol×K	434.56	Calculated Property
Cp,gas	693.64	J/mol×K	515.33	Calculated Property
Cp,gas	766.25	J/mol×K	596.11	Calculated Property
Cp,gas	829.69	J/mol×K	676.89	Calculated Property
Cp,gas	884.82	J/mol×K	757.67	Calculated Property
Cp,gas	932.48	J/mol×K	838.44	Calculated Property
Cp,gas	973.51	J/mol×K	919.22	Calculated Property
Cp,gas	1008.76	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzamide, 4-ethyl-N-butyl-N-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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