Chemical Properties of L-Valine, N-(3-methylbenzoyl)-, pentadecyl ester

InChI

InChI=1S/C28H47NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-28(31)26(23(2)3)29-27(30)25-20-18-19-24(4)22-25/h18-20,22-23,26H,5-17,21H2,1-4H3,(H,29,30)

InChI Key

XBBZOEKHEPGWLQ-UHFFFAOYSA-N

Formula

C28H47NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)C(N=C(O)c1cccc(C)c1)C(C)C

Molecular Weight¹

445.68

• 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	-731.35	kJ/mol	Joback Calculated Property
ΔvapH°	109.31	kJ/mol	Joback Calculated Property
log10WS	-8.52		Crippen Calculated Property
logPoct/wat	7.959		Crippen Calculated Property
McVol	400.610	ml/mol	McGowan Calculated Property
Pc	799.79	kPa	Joback Calculated Property
Inp	[3304.00; 3304.00]
Inp	3304.00		NIST
Inp	3304.00		NIST
Tboil	1115.85	K	Joback Calculated Property
Tc	1382.64	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methylbenzoyl)-, pentadecyl ester.

Sources

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

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