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

InChI

InChI=1S/C16H28ClNO4/c1-12(2)11-22-15(19)14(13-7-4-3-5-8-13)18-16(20)21-10-6-9-17/h12-14H,3-11H2,1-2H3,(H,18,20)

InChI Key

FCSFTORRKVXTLU-UHFFFAOYSA-N

Formula

C16H28ClNO4

SMILES

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

Molecular Weight¹

333.85

• 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°	-286.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-781.68	kJ/mol	Joback Calculated Property
ΔfusH°	36.85	kJ/mol	Joback Calculated Property
ΔvapH°	80.00	kJ/mol	Joback Calculated Property
log10WS	-4.09		Crippen Calculated Property
logPoct/wat	3.490		Crippen Calculated Property
McVol	262.540	ml/mol	McGowan Calculated Property
Pc	1645.76	kPa	Joback Calculated Property
Inp	[2331.00; 2331.00]
Inp	2331.00		NIST
Inp	2331.00		NIST
Tboil	824.33	K	Joback Calculated Property
Tc	1031.93	K	Joback Calculated Property
Tfus	474.36	K	Joback Calculated Property
Vc	0.985	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[820.67; 900.52]	J/mol×K	[824.33; 1031.93]
Cp,gas	820.67	J/mol×K	824.33	Joback Calculated Property
Cp,gas	837.13	J/mol×K	858.93	Joback Calculated Property
Cp,gas	852.31	J/mol×K	893.53	Joback Calculated Property
Cp,gas	866.22	J/mol×K	928.13	Joback Calculated Property
Cp,gas	878.88	J/mol×K	962.73	Joback Calculated Property
Cp,gas	890.30	J/mol×K	997.33	Joback Calculated Property
Cp,gas	900.52	J/mol×K	1031.93	Joback Calculated Property

Similar Compounds

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

Sources

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

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