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

InChI

InChI=1S/C18H27NO4/c1-5-22-18(21)19-16(17(20)23-14(4)13(2)3)12-11-15-9-7-6-8-10-15/h6-10,13-14,16H,5,11-12H2,1-4H3,(H,19,21)/t14-,16?/m1/s1

InChI Key

CLNFJLQNJRIWKG-IURRXHLWSA-N

Formula

C18H27NO4

SMILES

CCOC(O)=NC(CCc1ccccc1)C(=O)OC(C)C(C)C

Molecular Weight¹

321.41

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-650.98	kJ/mol	Joback Calculated Property
ΔvapH°	88.41	kJ/mol	Joback Calculated Property
log10WS	-3.87		Crippen Calculated Property
logPoct/wat	3.526		Crippen Calculated Property
McVol	265.580	ml/mol	McGowan Calculated Property
Pc	1514.03	kPa	Joback Calculated Property
Inp	[2170.90; 2170.90]
Inp	2170.90		NIST
Inp	2170.90		NIST
Tboil	904.05	K	Joback Calculated Property
Tc	1116.00	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Homophenylalanine, 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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