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

InChI

InChI=1S/C16H17NO3/c1-3-20-15(18)11-17(2)16(19)14-10-6-8-12-7-4-5-9-13(12)14/h4-10H,3,11H2,1-2H3

InChI Key

BWXLOQQWFADZBC-UHFFFAOYSA-N

Formula

C16H17NO3

SMILES

CCOC(=O)CN(C)C(=O)c1cccc2ccccc12

Molecular Weight¹

271.31

• 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).
• 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
ΔfH°gas	-381.52	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.86	kJ/mol	Joback Calculated Property
ΔvapH°	100.54	kJ/mol	Relay (1.0) Calculated Property
IE	8.11	eV	Relay (1.0) Calculated Property
log10WS	-3.23		Relay (1.0) Calculated Property
logPoct/wat	2.475		Crippen Calculated Property
McVol	212.070	ml/mol	McGowan Calculated Property
Pc	2210.37	kPa	Joback Calculated Property
Inp	[2316.00; 2316.00]
Inp	2316.00		NIST
Inp	2316.00		NIST
Tboil	654.39	K	Relay (1.0) Calculated Property
Tfus	344.01	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, 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	[588.24; 658.26]	J/mol×K	[740.85; 960.46]
Cp,gas	588.24	J/mol×K	740.85	Joback Calculated Property
Cp,gas	602.39	J/mol×K	777.45	Joback Calculated Property
Cp,gas	615.47	J/mol×K	814.05	Joback Calculated Property
Cp,gas	627.52	J/mol×K	850.65	Joback Calculated Property
Cp,gas	638.62	J/mol×K	887.25	Joback Calculated Property
Cp,gas	648.85	J/mol×K	923.86	Joback Calculated Property
Cp,gas	658.26	J/mol×K	960.46	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(1-naphthoyl)-, ethyl 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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