Chemical Properties of Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, hexadecyl ester

InChI

InChI=1S/C29H55NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-33-28(31)27(26-21-18-17-19-22-26)30-29(32)34-24-25(2)3/h25-27H,4-24H2,1-3H3,(H,30,32)

InChI Key

OZSTZPBIPLQZJS-UHFFFAOYSA-N

Formula

C29H55NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(NC(=O)OCC(C)C)C1CCCCC1

Molecular Weight¹

481.75

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-165.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1034.26	kJ/mol	Joback Calculated Property
ΔfusH°	66.33	kJ/mol	Joback Calculated Property
ΔvapH°	104.55	kJ/mol	Joback Calculated Property
log10WS	-9.38		Crippen Calculated Property
logPoct/wat	8.342		Crippen Calculated Property
McVol	433.470	ml/mol	McGowan Calculated Property
Pc	740.03	kPa	Joback Calculated Property
Inp	[3154.00; 3154.00]
Inp	3154.00		NIST
Inp	3154.00		NIST
Tboil	1084.34	K	Joback Calculated Property
Tc	1342.78	K	Joback Calculated Property
Tfus	590.95	K	Joback Calculated Property
Vc	1.663	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1599.06; 1680.23]	J/mol×K	[1084.34; 1342.78]
Cp,gas	1599.06	J/mol×K	1084.34	Joback Calculated Property
Cp,gas	1618.43	J/mol×K	1127.41	Joback Calculated Property
Cp,gas	1635.32	J/mol×K	1170.49	Joback Calculated Property
Cp,gas	1649.84	J/mol×K	1213.56	Joback Calculated Property
Cp,gas	1662.09	J/mol×K	1256.63	Joback Calculated Property
Cp,gas	1672.18	J/mol×K	1299.71	Joback Calculated Property
Cp,gas	1680.23	J/mol×K	1342.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-isobutoxycarbonyl-, hexadecyl ester.

Sources

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

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