Chemical Properties of Acetamide, 2-phenyl-N-butyl-N-hept-2-yl-

InChI

InChI=1S/C19H31NO/c1-4-6-9-12-17(3)20(15-7-5-2)19(21)16-18-13-10-8-11-14-18/h8,10-11,13-14,17H,4-7,9,12,15-16H2,1-3H3

InChI Key

JLMXKLARNZPTNZ-UHFFFAOYSA-N

Formula

C19H31NO

SMILES

CCCCCC(C)N(CCCC)C(=O)Cc1ccccc1

Molecular Weight¹

289.46

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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°	40.10	kJ/mol	Joback Calculated Property
logPoct/wat	4.827		Crippen Calculated Property
McVol	266.360	ml/mol	McGowan Calculated Property
Inp	[1581.00; 1581.00]
Inp	1581.00		NIST
Inp	1581.00		NIST
Tboil	612.43	K	Relay (1.0) Calculated Property
Tfus	276.51	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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	[779.87; 877.35]	J/mol×K	[726.87; 919.59]
Cp,gas	779.87	J/mol×K	726.87	Joback Calculated Property
Cp,gas	798.66	J/mol×K	758.99	Joback Calculated Property
Cp,gas	816.36	J/mol×K	791.11	Joback Calculated Property
Cp,gas	833.02	J/mol×K	823.23	Joback Calculated Property
Cp,gas	848.71	J/mol×K	855.35	Joback Calculated Property
Cp,gas	863.46	J/mol×K	887.47	Joback Calculated Property
Cp,gas	877.35	J/mol×K	919.59	Joback Calculated Property

Similar Compounds

Find more compounds similar to Acetamide, 2-phenyl-N-butyl-N-hept-2-yl-.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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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