Chemical Properties of Acetamide, 2-phenyl-N-butyl-N-2-ethylhexyl-

InChI

InChI=1S/C20H33NO/c1-4-7-12-18(6-3)17-21(15-8-5-2)20(22)16-19-13-10-9-11-14-19/h9-11,13-14,18H,4-8,12,15-17H2,1-3H3

InChI Key

CQQQBMJDTJLIJK-UHFFFAOYSA-N

Formula

C20H33NO

SMILES

CCCCC(CC)CN(CCCC)C(=O)Cc1ccccc1

Molecular Weight¹

303.49

• 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°	42.69	kJ/mol	Joback Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	5.074		Crippen Calculated Property
McVol	280.450	ml/mol	McGowan Calculated Property
Pc	1333.93	kPa	Joback Calculated Property
Inp	[1641.00; 1641.00]
Inp	1641.00		NIST
Inp	1641.00		NIST
Tboil	626.75	K	Relay (1.0) Calculated Property
Tfus	258.69	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	[388.62; 960.21]	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			-5.42110e+01
Coefficient B			1.92676e+00
Coefficient C			-1.19250e-03
Coefficient D			2.80160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	388.62	J/mol×K	273.00	Calculated Property
Cp,gas	490.59	J/mol×K	353.78	Calculated Property
Cp,gas	580.87	J/mol×K	434.56	Calculated Property
Cp,gas	660.36	J/mol×K	515.33	Calculated Property
Cp,gas	729.94	J/mol×K	596.11	Calculated Property
Cp,gas	790.50	J/mol×K	676.89	Calculated Property
Cp,gas	842.92	J/mol×K	757.67	Calculated Property
Cp,gas	888.09	J/mol×K	838.44	Calculated Property
Cp,gas	926.89	J/mol×K	919.22	Calculated Property
Cp,gas	960.21	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2-phenyl-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.
These property values are available through the Cheméo API. A free account gives you an access key.