Chemical Properties of l-Phenylalanine, N-(3-cyclopentylpropionyl)-, methyl ester

InChI

InChI=1S/C18H25NO3/c1-22-18(21)16(13-15-9-3-2-4-10-15)19-17(20)12-11-14-7-5-6-8-14/h2-4,9-10,14,16H,5-8,11-13H2,1H3,(H,19,20)

InChI Key

QFAPOGGWKDCBDP-UHFFFAOYSA-N

Formula

C18H25NO3

SMILES

COC(=O)C(Cc1ccccc1)NC(=O)CCC1CCCC1

Molecular Weight¹

303.40

• ω : Acentric Factor.
• 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).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.7047		Relay (1.0) Calculated Property
ΔfG°	-26.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-571.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.31	kJ/mol	Joback Calculated Property
ΔvapH°	106.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.77	eV	Relay (1.0) Calculated Property
log10WS	-3.59		Relay (1.0) Calculated Property
logPoct/wat	2.857		Crippen Calculated Property
McVol	248.850	ml/mol	McGowan Calculated Property
Pc	1882.17	kPa	Joback Calculated Property
Inp	[2307.00; 2307.00]
Inp	2307.00		NIST
Inp	2307.00		NIST
Tboil	641.58	K	Relay (1.0) Calculated Property
Tc	883.40	K	Relay (1.0) Calculated Property
Tfus	335.21	K	Relay (1.0) Calculated Property
Vc	0.877	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[782.79; 862.66]	J/mol×K	[833.09; 1055.32]
Cp,gas	782.79	J/mol×K	833.09	Joback Calculated Property
Cp,gas	799.20	J/mol×K	870.13	Joback Calculated Property
Cp,gas	814.29	J/mol×K	907.17	Joback Calculated Property
Cp,gas	828.12	J/mol×K	944.21	Joback Calculated Property
Cp,gas	840.75	J/mol×K	981.25	Joback Calculated Property
Cp,gas	852.24	J/mol×K	1018.29	Joback Calculated Property
Cp,gas	862.66	J/mol×K	1055.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Phenylalanine, N-(3-cyclopentylpropionyl)-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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