Chemical Properties of Propanamide, 3-phenyl-N-ethyl-N-3-methylbutyl-

InChI

InChI=1S/C16H25NO/c1-4-17(13-12-14(2)3)16(18)11-10-15-8-6-5-7-9-15/h5-9,14H,4,10-13H2,1-3H3

InChI Key

KLSVTLNNYVFZQX-UHFFFAOYSA-N

Formula

C16H25NO

SMILES

CCN(CCC(C)C)C(=O)CCc1ccccc1

Molecular Weight¹

247.38

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.33	kJ/mol	Joback Calculated Property
ΔvapH°	79.68	kJ/mol	Relay (1.0) Calculated Property
IE	8.18	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	3.514		Crippen Calculated Property
McVol	224.090	ml/mol	McGowan Calculated Property
Pc	1804.63	kPa	Joback Calculated Property
Inp	[2095.00; 2095.00]
Inp	2095.00		NIST
Inp	2095.00		NIST
Tboil	589.18	K	Relay (1.0) Calculated Property
Tfus	266.59	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[611.48; 705.04]	J/mol×K	[658.23; 856.18]
Cp,gas	611.48	J/mol×K	658.23	Joback Calculated Property
Cp,gas	629.59	J/mol×K	691.22	Joback Calculated Property
Cp,gas	646.62	J/mol×K	724.21	Joback Calculated Property
Cp,gas	662.64	J/mol×K	757.20	Joback Calculated Property
Cp,gas	677.68	J/mol×K	790.19	Joback Calculated Property
Cp,gas	691.80	J/mol×K	823.19	Joback Calculated Property
Cp,gas	705.04	J/mol×K	856.18	Joback Calculated Property

Similar Compounds

Find more compounds similar to Propanamide, 3-phenyl-N-ethyl-N-3-methylbutyl-.

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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