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

InChI

InChI=1S/C17H25NO3/c1-3-4-8-13-21-17(20)14-18(2)16(19)12-11-15-9-6-5-7-10-15/h5-7,9-10H,3-4,8,11-14H2,1-2H3

InChI Key

CNYMWVBEMGMMKU-UHFFFAOYSA-N

Formula

C17H25NO3

SMILES

CCCCCOC(=O)CN(C)C(=O)CCc1ccccc1

Molecular Weight¹

291.39

• 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°	-47.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-447.53	kJ/mol	Joback Calculated Property
ΔfusH°	41.23	kJ/mol	Joback Calculated Property
ΔvapH°	73.66	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	2.811		Crippen Calculated Property
McVol	245.620	ml/mol	McGowan Calculated Property
Pc	1718.88	kPa	Joback Calculated Property
Inp	[2306.00; 2306.00]
Inp	2306.00		NIST
Inp	2306.00		NIST
Tboil	757.64	K	Joback Calculated Property
Tc	956.43	K	Joback Calculated Property
Tfus	462.33	K	Joback Calculated Property
Vc	0.927	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.56; 798.87]	J/mol×K	[757.64; 956.43]
Cp,gas	717.56	J/mol×K	757.64	Joback Calculated Property
Cp,gas	733.54	J/mol×K	790.77	Joback Calculated Property
Cp,gas	748.50	J/mol×K	823.90	Joback Calculated Property
Cp,gas	762.47	J/mol×K	857.03	Joback Calculated Property
Cp,gas	775.49	J/mol×K	890.16	Joback Calculated Property
Cp,gas	787.61	J/mol×K	923.30	Joback Calculated Property
Cp,gas	798.87	J/mol×K	956.43	Joback Calculated Property

Similar Compounds

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

Sources

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

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