Chemical Properties of «beta»-Alanine, N-cyclohexylcarbonyl-, octyl ester

InChI

InChI=1S/C18H33NO3/c1-2-3-4-5-6-10-15-22-17(20)13-14-19-18(21)16-11-8-7-9-12-16/h16H,2-15H2,1H3,(H,19,21)

InChI Key

ZNEXMEKDBPMBRM-UHFFFAOYSA-N

Formula

C18H33NO3

SMILES

CCCCCCCCOC(=O)CCN=C(O)C1CCCCC1

Molecular Weight¹

311.46

• 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	-685.13	kJ/mol	Joback Calculated Property
ΔvapH°	85.32	kJ/mol	Joback Calculated Property
log10WS	-4.86		Crippen Calculated Property
logPoct/wat	4.817		Crippen Calculated Property
McVol	272.610	ml/mol	McGowan Calculated Property
Pc	1368.70	kPa	Joback Calculated Property
Inp	[2457.00; 2457.00]
Inp	2457.00		NIST
Inp	2457.00		NIST
Tboil	875.82	K	Joback Calculated Property
Tc	1078.72	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to «beta»-Alanine, N-cyclohexylcarbonyl-, octyl ester.

Sources

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

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