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

InChI

InChI=1S/C19H35NO3/c1-2-3-4-5-6-7-11-16-23-18(21)14-15-20-19(22)17-12-9-8-10-13-17/h17H,2-16H2,1H3,(H,20,22)

InChI Key

ZBAQBBJWLXXSSP-UHFFFAOYSA-N

Formula

C19H35NO3

SMILES

CCCCCCCCCOC(=O)CCN=C(O)C1CCCCC1

Molecular Weight¹

325.49

• 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	-705.77	kJ/mol	Joback Calculated Property
ΔvapH°	87.55	kJ/mol	Joback Calculated Property
log10WS	-5.27		Crippen Calculated Property
logPoct/wat	5.207		Crippen Calculated Property
McVol	286.700	ml/mol	McGowan Calculated Property
Pc	1276.42	kPa	Joback Calculated Property
Inp	[2557.00; 2557.00]
Inp	2557.00		NIST
Inp	2557.00		NIST
Tboil	898.70	K	Joback Calculated Property
Tc	1103.79	K	Joback Calculated Property

Similar Compounds

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

Sources

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

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