Chemical Properties of Sarcosine, N-(3-phenylpropionyl)-, butyl ester

InChI

InChI=1S/C16H23NO3/c1-3-4-12-20-16(19)13-17(2)15(18)11-10-14-8-6-5-7-9-14/h5-9H,3-4,10-13H2,1-2H3

InChI Key

SHBIARCZZWJDSP-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CCCCOC(=O)CN(C)C(=O)CCc1ccccc1

Molecular Weight¹

277.36

• 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°	-55.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-426.89	kJ/mol	Joback Calculated Property
ΔfusH°	38.64	kJ/mol	Joback Calculated Property
ΔvapH°	71.43	kJ/mol	Joback Calculated Property
log10WS	-2.83		Crippen Calculated Property
logPoct/wat	2.421		Crippen Calculated Property
McVol	231.530	ml/mol	McGowan Calculated Property
Pc	1864.33	kPa	Joback Calculated Property
Inp	[2205.00; 2205.00]
Inp	2205.00		NIST
Inp	2205.00		NIST
Tboil	734.76	K	Joback Calculated Property
Tc	934.97	K	Joback Calculated Property
Tfus	451.06	K	Joback Calculated Property
Vc	0.872	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.66; 741.59]	J/mol×K	[734.76; 934.97]
Cp,gas	661.66	J/mol×K	734.76	Joback Calculated Property
Cp,gas	677.37	J/mol×K	768.13	Joback Calculated Property
Cp,gas	692.08	J/mol×K	801.50	Joback Calculated Property
Cp,gas	705.82	J/mol×K	834.86	Joback Calculated Property
Cp,gas	718.62	J/mol×K	868.23	Joback Calculated Property
Cp,gas	730.54	J/mol×K	901.60	Joback Calculated Property
Cp,gas	741.59	J/mol×K	934.97	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-phenylpropionyl)-, butyl ester.

Sources

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

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