Chemical Properties of Sarcosine, N-(1-naphthoyl)-, isobutyl ester

InChI

InChI=1S/C18H21NO3/c1-13(2)12-22-17(20)11-19(3)18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10,13H,11-12H2,1-3H3

InChI Key

ZHYPEWAUIATXIS-UHFFFAOYSA-N

Formula

C18H21NO3

SMILES

CC(C)COC(=O)CN(C)C(=O)c1cccc2ccccc12

Molecular Weight¹

299.37

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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°	38.51	kJ/mol	Joback Calculated Property
IE	8.14	eV	Relay (1.0) Calculated Property
log10WS	-3.77		Relay (1.0) Calculated Property
logPoct/wat	3.111		Crippen Calculated Property
McVol	240.250	ml/mol	McGowan Calculated Property
Inp	[2465.00; 2465.00]
Inp	2465.00		NIST
Inp	2465.00		NIST
Tboil	668.65	K	Relay (1.0) Calculated Property
Tfus	342.11	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 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	[698.23; 772.25]	J/mol×K	[786.17; 1003.50]
Cp,gas	698.23	J/mol×K	786.17	Joback Calculated Property
Cp,gas	713.13	J/mol×K	822.39	Joback Calculated Property
Cp,gas	726.91	J/mol×K	858.61	Joback Calculated Property
Cp,gas	739.64	J/mol×K	894.84	Joback Calculated Property
Cp,gas	751.39	J/mol×K	931.06	Joback Calculated Property
Cp,gas	762.23	J/mol×K	967.28	Joback Calculated Property
Cp,gas	772.25	J/mol×K	1003.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, isobutyl ester.

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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