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

InChI

InChI=1S/C17H30ClNO4/c1-2-3-7-12-22-16(20)15(14-9-5-4-6-10-14)19-17(21)23-13-8-11-18/h14-15H,2-13H2,1H3,(H,19,21)

InChI Key

IYVMWBQASPGQIN-UHFFFAOYSA-N

Formula

C17H30ClNO4

SMILES

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

Molecular Weight¹

347.88

• 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°	-276.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-797.04	kJ/mol	Joback Calculated Property
ΔfusH°	42.97	kJ/mol	Joback Calculated Property
ΔvapH°	82.61	kJ/mol	Joback Calculated Property
log10WS	-4.75		Crippen Calculated Property
logPoct/wat	4.024		Crippen Calculated Property
McVol	276.630	ml/mol	McGowan Calculated Property
Pc	1515.21	kPa	Joback Calculated Property
Inp	[2382.00; 2382.00]
Inp	2382.00		NIST
Inp	2382.00		NIST
Tboil	847.65	K	Joback Calculated Property
Tc	1052.77	K	Joback Calculated Property
Tfus	500.63	K	Joback Calculated Property
Vc	1.046	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[878.95; 958.37]	J/mol×K	[847.65; 1052.77]
Cp,gas	878.95	J/mol×K	847.65	Joback Calculated Property
Cp,gas	895.34	J/mol×K	881.84	Joback Calculated Property
Cp,gas	910.44	J/mol×K	916.02	Joback Calculated Property
Cp,gas	924.27	J/mol×K	950.21	Joback Calculated Property
Cp,gas	936.85	J/mol×K	984.39	Joback Calculated Property
Cp,gas	948.21	J/mol×K	1018.58	Joback Calculated Property
Cp,gas	958.37	J/mol×K	1052.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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