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

• 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	0.7951		Relay (1.0) Calculated Property
ΔfG°	-286.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-998.89	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.85	kJ/mol	Joback Calculated Property
ΔvapH°	95.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-4.20		Relay (1.0) 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	620.28	K	Relay (1.0) Calculated Property
Tc	841.18	K	Relay (1.0) Calculated Property
Tfus	324.55	K	Relay (1.0) Calculated Property
Vc	0.917	m3/kmol	Relay (1.0) 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.