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_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_c : Critical 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	-1118.57	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.11	kJ/mol	Joback Calculated Property
ΔvapH°	102.45	kJ/mol	Relay (1.0) Calculated Property
IE	9.08	eV	Relay (1.0) Calculated Property
log10WS	-3.26		Relay (1.0) Calculated Property
logPoct/wat	2.348		Crippen Calculated Property
McVol	262.730	ml/mol	McGowan Calculated Property
Pc	1413.31	kPa	Joback Calculated Property
Inp	[2086.00; 2086.00]
Inp	2086.00		NIST
Inp	2086.00		NIST
Tboil	591.33	K	Relay (1.0) Calculated Property
Tc	794.34	K	Relay (1.0) Calculated Property
Tfus	300.66	K	Relay (1.0) Calculated Property

Cheméo can also estimate 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	[803.06; 878.94]	J/mol×K	[785.72; 971.58]
Cp,gas	803.06	J/mol×K	785.72	Joback Calculated Property
Cp,gas	818.20	J/mol×K	816.70	Joback Calculated Property
Cp,gas	832.34	J/mol×K	847.67	Joback Calculated Property
Cp,gas	845.46	J/mol×K	878.65	Joback Calculated Property
Cp,gas	857.60	J/mol×K	909.62	Joback Calculated Property
Cp,gas	868.75	J/mol×K	940.60	Joback Calculated Property
Cp,gas	878.94	J/mol×K	971.58	Joback Calculated Property

Similar Compounds

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