Chemical Properties of Glycine, 2-cyclohexyl-N-(3-chloropropoxycarbonyl)-, nonyl ester

InChI

InChI=1S/C21H38ClNO4/c1-2-3-4-5-6-7-11-16-26-20(24)19(18-13-9-8-10-14-18)23-21(25)27-17-12-15-22/h18-19H,2-17H2,1H3,(H,23,25)

InChI Key

IZFUCNGTNDFLPB-UHFFFAOYSA-N

Formula

C21H38ClNO4

SMILES

CCCCCCCCCOC(=O)C(NC(=O)OCCCCl)C1CCCCC1

Molecular Weight¹

403.98

• 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	1.0088		Relay (1.0) Calculated Property
ΔfG°	-242.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1081.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.33	kJ/mol	Joback Calculated Property
ΔvapH°	116.59	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-5.85		Relay (1.0) Calculated Property
logPoct/wat	5.584		Crippen Calculated Property
McVol	332.990	ml/mol	McGowan Calculated Property
Pc	1146.76	kPa	Joback Calculated Property
Inp	[2775.00; 2775.00]
Inp	2775.00		NIST
Inp	2775.00		NIST
Tboil	656.54	K	Relay (1.0) Calculated Property
Tc	887.80	K	Relay (1.0) Calculated Property
Tfus	329.56	K	Relay (1.0) Calculated Property
Vc	1.188	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1120.68; 1199.21]	J/mol×K	[939.17; 1151.28]
Cp,gas	1120.68	J/mol×K	939.17	Joback Calculated Property
Cp,gas	1137.42	J/mol×K	974.52	Joback Calculated Property
Cp,gas	1152.65	J/mol×K	1009.87	Joback Calculated Property
Cp,gas	1166.41	J/mol×K	1045.22	Joback Calculated Property
Cp,gas	1178.73	J/mol×K	1080.58	Joback Calculated Property
Cp,gas	1189.65	J/mol×K	1115.93	Joback Calculated Property
Cp,gas	1199.21	J/mol×K	1151.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(3-chloropropoxycarbonyl)-, nonyl ester.

Sources

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

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