Chemical Properties of Glycine, di(2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl)- ester

InChI

InChI=1S/C17H27NO4/c1-3-5-12-21-16(19)15(14-10-8-7-9-11-14)18-17(20)22-13-6-4-2/h3-4,14-15H,1-2,5-13H2,(H,18,20)

InChI Key

IURJMFCQIBCLHG-UHFFFAOYSA-N

Formula

C17H27NO4

SMILES

C=CCCOC(=O)NC(C(=O)OCCC=C)C1CCCCC1

Molecular Weight¹

309.40

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7295		Relay (1.0) Calculated Property
ΔfG°	-88.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-789.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.21	kJ/mol	Joback Calculated Property
ΔvapH°	95.43	kJ/mol	Relay (1.0) Calculated Property
IE	8.95	eV	Relay (1.0) Calculated Property
log10WS	-3.63		Relay (1.0) Calculated Property
logPoct/wat	3.357		Crippen Calculated Property
McVol	255.790	ml/mol	McGowan Calculated Property
Pc	1668.70	kPa	Joback Calculated Property
Inp	[2098.00; 2098.00]
Inp	2098.00		NIST
Inp	2098.00		NIST
Tboil	634.88	K	Relay (1.0) Calculated Property
Tc	836.30	K	Relay (1.0) Calculated Property
Tfus	299.93	K	Relay (1.0) Calculated Property
Vc	0.861	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.38; 879.46]	J/mol×K	[803.58; 1008.28]
Cp,gas	796.38	J/mol×K	803.58	Joback Calculated Property
Cp,gas	813.19	J/mol×K	837.70	Joback Calculated Property
Cp,gas	828.77	J/mol×K	871.81	Joback Calculated Property
Cp,gas	843.16	J/mol×K	905.93	Joback Calculated Property
Cp,gas	856.39	J/mol×K	940.05	Joback Calculated Property
Cp,gas	868.48	J/mol×K	974.16	Joback Calculated Property
Cp,gas	879.46	J/mol×K	1008.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, di(2-cyclohexyl-N-(but-3-en-1-yl)oxycarbonyl)- ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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