Chemical Properties of L-Valine, N-(2-methoxybenzoyl)-, pentyl ester

InChI

InChI=1S/C18H27NO4/c1-5-6-9-12-23-18(21)16(13(2)3)19-17(20)14-10-7-8-11-15(14)22-4/h7-8,10-11,13,16H,5-6,9,12H2,1-4H3,(H,19,20)

InChI Key

RHMMGDGDKLRIKH-UHFFFAOYSA-N

Formula

C18H27NO4

SMILES

CCCCCOC(=O)C(N=C(O)c1ccccc1OC)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	-657.17	kJ/mol	Joback Calculated Property
ΔvapH°	89.46	kJ/mol	Joback Calculated Property
log10WS	-3.98		Crippen Calculated Property
logPoct/wat	3.758		Crippen Calculated Property
McVol	265.580	ml/mol	McGowan Calculated Property
Pc	1487.29	kPa	Joback Calculated Property
Inp	[2402.00; 2402.00]
Inp	2402.00		NIST
Inp	2402.00		NIST
Tboil	909.47	K	Joback Calculated Property
Tc	1120.84	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(2-methoxybenzoyl)-, pentyl ester.

Sources

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

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