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

InChI

InChI=1S/C25H41NO3/c1-5-6-7-8-9-10-11-12-13-14-18-29-25(28)23(20(2)3)26-24(27)22-17-15-16-21(4)19-22/h15-17,19-20,23H,5-14,18H2,1-4H3,(H,26,27)

InChI Key

SNLYKFWFADTFIU-UHFFFAOYSA-N

Formula

C25H41NO3

SMILES

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

Molecular Weight¹

403.60

• 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	-669.43	kJ/mol	Joback Calculated Property
ΔvapH°	102.63	kJ/mol	Joback Calculated Property
log10WS	-7.27		Crippen Calculated Property
logPoct/wat	6.788		Crippen Calculated Property
McVol	358.340	ml/mol	McGowan Calculated Property
Pc	947.91	kPa	Joback Calculated Property
Inp	[2989.00; 2989.00]
Inp	2989.00		NIST
Inp	2989.00		NIST
Tboil	1047.21	K	Joback Calculated Property
Tc	1284.87	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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