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

InChI

InChI=1S/C14H19NO3/c1-4-11-6-8-12(9-7-11)14(17)15(3)10-13(16)18-5-2/h6-9H,4-5,10H2,1-3H3

InChI Key

KRLLSZZULFBHGI-UHFFFAOYSA-N

Formula

C14H19NO3

SMILES

CCOC(=O)CN(C)C(=O)c1ccc(CC)cc1

Molecular Weight¹

249.31

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-82.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-397.08	kJ/mol	Joback Calculated Property
ΔfusH°	33.07	kJ/mol	Joback Calculated Property
ΔvapH°	67.64	kJ/mol	Joback Calculated Property
log10WS	-2.54		Crippen Calculated Property
logPoct/wat	1.884		Crippen Calculated Property
McVol	203.350	ml/mol	McGowan Calculated Property
Pc	2185.64	kPa	Joback Calculated Property
Inp	[2010.00; 2010.00]
Inp	2010.00		NIST
Inp	2010.00		NIST
Tboil	693.98	K	Joback Calculated Property
Tc	899.30	K	Joback Calculated Property
Tfus	441.04	K	Joback Calculated Property
Vc	0.759	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.42; 628.29]	J/mol×K	[693.98; 899.30]
Cp,gas	552.42	J/mol×K	693.98	Joback Calculated Property
Cp,gas	567.33	J/mol×K	728.20	Joback Calculated Property
Cp,gas	581.29	J/mol×K	762.42	Joback Calculated Property
Cp,gas	594.34	J/mol×K	796.64	Joback Calculated Property
Cp,gas	606.50	J/mol×K	830.86	Joback Calculated Property
Cp,gas	617.81	J/mol×K	865.08	Joback Calculated Property
Cp,gas	628.29	J/mol×K	899.30	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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