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

InChI

InChI=1S/C16H28ClNO4/c1-2-3-11-21-15(19)14(13-8-5-4-6-9-13)18-16(20)22-12-7-10-17/h13-14H,2-12H2,1H3,(H,18,20)

InChI Key

MSMPHNKADJWGSM-UHFFFAOYSA-N

Formula

C16H28ClNO4

SMILES

CCCCOC(=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°	-284.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-776.40	kJ/mol	Joback Calculated Property
ΔfusH°	40.38	kJ/mol	Joback Calculated Property
ΔvapH°	80.38	kJ/mol	Joback Calculated Property
log10WS	-4.33		Crippen Calculated Property
logPoct/wat	3.634		Crippen Calculated Property
McVol	262.540	ml/mol	McGowan Calculated Property
Pc	1635.13	kPa	Joback Calculated Property
Inp	[2273.00; 2273.00]
Inp	2273.00		NIST
Inp	2273.00		NIST
Tboil	824.77	K	Joback Calculated Property
Tc	1030.03	K	Joback Calculated Property
Tfus	489.36	K	Joback Calculated Property
Vc	0.991	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[820.14; 899.51]	J/mol×K	[824.77; 1030.03]
Cp,gas	820.14	J/mol×K	824.77	Joback Calculated Property
Cp,gas	836.43	J/mol×K	858.98	Joback Calculated Property
Cp,gas	851.47	J/mol×K	893.19	Joback Calculated Property
Cp,gas	865.28	J/mol×K	927.40	Joback Calculated Property
Cp,gas	877.88	J/mol×K	961.61	Joback Calculated Property
Cp,gas	889.28	J/mol×K	995.82	Joback Calculated Property
Cp,gas	899.51	J/mol×K	1030.03	Joback Calculated Property

Similar Compounds

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

Sources

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

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