Chemical Properties of D-Phenylalanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI

InChI=1S/C17H25NO4/c1-5-21-17(20)18-15(11-14-9-7-6-8-10-14)16(19)22-13(4)12(2)3/h6-10,12-13,15H,5,11H2,1-4H3,(H,18,20)/t13-,15?/m1/s1

InChI Key

XOBNYRVITXPDDJ-AFYYWNPRSA-N

Formula

C17H25NO4

SMILES

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

Molecular Weight¹

307.38

• 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°	-181.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-609.65	kJ/mol	Joback Calculated Property
ΔfusH°	33.93	kJ/mol	Joback Calculated Property
ΔvapH°	79.30	kJ/mol	Joback Calculated Property
log10WS	-3.92		Crippen Calculated Property
logPoct/wat	2.931		Crippen Calculated Property
McVol	251.490	ml/mol	McGowan Calculated Property
Pc	1750.67	kPa	Joback Calculated Property
Inp	[2026.90; 2026.90]
Inp	2026.90		NIST
Inp	2026.90		NIST
Tboil	816.47	K	Joback Calculated Property
Tc	1025.89	K	Joback Calculated Property
Tfus	459.75	K	Joback Calculated Property
Vc	0.945	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[764.08; 838.43]	J/mol×K	[816.47; 1025.89]
Cp,gas	764.08	J/mol×K	816.47	Joback Calculated Property
Cp,gas	779.31	J/mol×K	851.37	Joback Calculated Property
Cp,gas	793.38	J/mol×K	886.28	Joback Calculated Property
Cp,gas	806.30	J/mol×K	921.18	Joback Calculated Property
Cp,gas	818.10	J/mol×K	956.08	Joback Calculated Property
Cp,gas	828.80	J/mol×K	990.98	Joback Calculated Property
Cp,gas	838.43	J/mol×K	1025.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Phenylalanine, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

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

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