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

InChI

InChI=1S/C18H32ClNO4/c1-14(2)8-6-12-23-17(21)16(15-9-4-3-5-10-15)20-18(22)24-13-7-11-19/h14-16H,3-13H2,1-2H3,(H,20,22)

InChI Key

JVIYRUWUPFRWJC-UHFFFAOYSA-N

Formula

C18H32ClNO4

SMILES

CC(C)CCCOC(=O)C(NC(=O)OCCCCl)C1CCCCC1

Molecular Weight¹

361.90

• 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°	-270.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-822.96	kJ/mol	Joback Calculated Property
ΔfusH°	42.04	kJ/mol	Joback Calculated Property
ΔvapH°	84.45	kJ/mol	Joback Calculated Property
log10WS	-4.93		Crippen Calculated Property
logPoct/wat	4.270		Crippen Calculated Property
McVol	290.720	ml/mol	McGowan Calculated Property
Pc	1416.50	kPa	Joback Calculated Property
Inp	[2438.00; 2438.00]
Inp	2438.00		NIST
Inp	2438.00		NIST
Tboil	870.09	K	Joback Calculated Property
Tc	1077.47	K	Joback Calculated Property
Tfus	496.90	K	Joback Calculated Property
Vc	1.097	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[938.98; 1018.52]	J/mol×K	[870.09; 1077.47]
Cp,gas	938.98	J/mol×K	870.09	Joback Calculated Property
Cp,gas	955.56	J/mol×K	904.65	Joback Calculated Property
Cp,gas	970.78	J/mol×K	939.22	Joback Calculated Property
Cp,gas	984.66	J/mol×K	973.78	Joback Calculated Property
Cp,gas	997.23	J/mol×K	1008.34	Joback Calculated Property
Cp,gas	1008.51	J/mol×K	1042.90	Joback Calculated Property
Cp,gas	1018.52	J/mol×K	1077.47	Joback Calculated Property

Similar Compounds

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

Sources

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

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