Chemical Properties of Sarcosine, N-(4-ethylbenzoyl)-, isobutyl ester

InChI

InChI=1S/C16H23NO3/c1-5-13-6-8-14(9-7-13)16(19)17(4)10-15(18)20-11-12(2)3/h6-9,12H,5,10-11H2,1-4H3

InChI Key

KAPAOMLJNDMSLP-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CCc1ccc(C(=O)N(C)CC(=O)OCC(C)C)cc1

Molecular Weight¹

277.36

• 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).
• 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_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-552.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.31	kJ/mol	Joback Calculated Property
IE	8.56	eV	Relay (1.0) Calculated Property
log10WS	-3.45		Relay (1.0) Calculated Property
logPoct/wat	2.520		Crippen Calculated Property
McVol	231.530	ml/mol	McGowan Calculated Property
Pc	1789.39	kPa	Joback Calculated Property
Inp	[2153.00; 2153.00]
Inp	2153.00		NIST
Inp	2153.00		NIST
Tboil	617.10	K	Relay (1.0) Calculated Property
Tc	815.98	K	Relay (1.0) Calculated Property
Tfus	292.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization 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	[655.83; 737.00]	J/mol×K	[721.43; 923.45]
Cp,gas	655.83	J/mol×K	721.43	Joback Calculated Property
Cp,gas	671.92	J/mol×K	755.10	Joback Calculated Property
Cp,gas	686.94	J/mol×K	788.77	Joback Calculated Property
Cp,gas	700.92	J/mol×K	822.44	Joback Calculated Property
Cp,gas	713.91	J/mol×K	856.11	Joback Calculated Property
Cp,gas	725.92	J/mol×K	889.78	Joback Calculated Property
Cp,gas	737.00	J/mol×K	923.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-ethylbenzoyl)-, isobutyl ester.

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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