Chemical Properties of l-Phenylalanine, N-caproyl-, methyl ester

InChI

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

InChI Key

IZQJDSLVCFGOEO-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CCCCCC(=O)NC(Cc1ccccc1)C(=O)OC

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°	-79.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-446.23	kJ/mol	Joback Calculated Property
ΔfusH°	37.20	kJ/mol	Joback Calculated Property
ΔvapH°	75.44	kJ/mol	Joback Calculated Property
log10WS	-3.56		Crippen Calculated Property
logPoct/wat	2.467		Crippen Calculated Property
McVol	231.530	ml/mol	McGowan Calculated Property
Pc	1901.92	kPa	Joback Calculated Property
Inp	[2023.00; 2023.00]
Inp	2023.00		NIST
Inp	2023.00		NIST
Tboil	772.05	K	Joback Calculated Property
Tc	978.12	K	Joback Calculated Property
Tfus	456.25	K	Joback Calculated Property
Vc	0.882	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[678.31; 754.13]	J/mol×K	[772.05; 978.12]
Cp,gas	678.31	J/mol×K	772.05	Joback Calculated Property
Cp,gas	693.41	J/mol×K	806.40	Joback Calculated Property
Cp,gas	707.49	J/mol×K	840.74	Joback Calculated Property
Cp,gas	720.56	J/mol×K	875.09	Joback Calculated Property
Cp,gas	732.67	J/mol×K	909.43	Joback Calculated Property
Cp,gas	743.85	J/mol×K	943.78	Joback Calculated Property
Cp,gas	754.13	J/mol×K	978.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine, N-caproyl-, methyl ester.

Sources

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

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