Chemical Properties of l-Serine, N,O-bis(caproyl)-, methyl ester

InChI

InChI=1S/C16H29NO5/c1-4-6-8-10-14(18)17-13(16(20)21-3)12-22-15(19)11-9-7-5-2/h13H,4-12H2,1-3H3,(H,17,18)

InChI Key

JYJQSWYTGVEMKA-UHFFFAOYSA-N

Formula

C16H29NO5

SMILES

CCCCCC(=O)NC(COC(=O)CCCCC)C(=O)OC

Molecular Weight¹

315.41

• 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°	-425.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-927.56	kJ/mol	Joback Calculated Property
ΔfusH°	45.95	kJ/mol	Joback Calculated Property
ΔvapH°	82.32	kJ/mol	Joback Calculated Property
log10WS	-3.32		Crippen Calculated Property
logPoct/wat	2.348		Crippen Calculated Property
McVol	262.730	ml/mol	McGowan Calculated Property
Pc	1504.65	kPa	Joback Calculated Property
Inp	[2086.00; 2086.00]
Inp	2086.00		NIST
Inp	2086.00		NIST
Tboil	821.66	K	Joback Calculated Property
Tc	1013.22	K	Joback Calculated Property
Tfus	501.99	K	Joback Calculated Property
Vc	1.014	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.54; 890.32]	J/mol×K	[821.66; 1013.22]
Cp,gas	815.54	J/mol×K	821.66	Joback Calculated Property
Cp,gas	830.44	J/mol×K	853.59	Joback Calculated Property
Cp,gas	844.36	J/mol×K	885.51	Joback Calculated Property
Cp,gas	857.29	J/mol×K	917.44	Joback Calculated Property
Cp,gas	869.26	J/mol×K	949.37	Joback Calculated Property
Cp,gas	880.26	J/mol×K	981.29	Joback Calculated Property
Cp,gas	890.32	J/mol×K	1013.22	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Serine, N,O-bis(caproyl)-, methyl ester.

Sources

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

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