Chemical Properties of Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, dodecyl ester

InChI

InChI=1S/C25H43NO4/c1-3-5-7-8-9-10-11-12-13-17-21-29-24(27)23(22-18-15-14-16-19-22)26-25(28)30-20-6-4-2/h22-23H,3,5,7-21H2,1-2H3,(H,26,28)

InChI Key

NHYKKVTWMPVMSG-UHFFFAOYSA-N

Formula

C25H43NO4

SMILES

CC#CCOC(O)=NC(C(=O)OCCCCCCCCCCCC)C1CCCCC1

Molecular Weight¹

421.61

• 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	-694.81	kJ/mol	Joback Calculated Property
ΔvapH°	105.08	kJ/mol	Joback Calculated Property
log10WS	-7.28		Crippen Calculated Property
logPoct/wat	6.353		Crippen Calculated Property
McVol	368.510	ml/mol	McGowan Calculated Property
Pc	962.08	kPa	Joback Calculated Property
Inp	[2986.00; 2986.00]
Inp	2986.00		NIST
Inp	2986.00		NIST
Tboil	1066.96	K	Joback Calculated Property
Tc	1308.57	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(but-2-yn-1-yl)oxycarbonyl-, dodecyl ester.

Sources

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

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