Chemical Properties of Glycine, 2-cyclohexyl-N-(2,2,2-trichloroethoxy)carbonyl-, 2,2,2-trichloroethyl ester

InChI

InChI=1S/C13H17Cl6NO4/c14-12(15,16)6-23-10(21)9(8-4-2-1-3-5-8)20-11(22)24-7-13(17,18)19/h8-9H,1-7H2,(H,20,22)

InChI Key

IFGOIESKTSSBKV-UHFFFAOYSA-N

Formula

C13H17Cl6NO4

SMILES

O=C(OCC(Cl)(Cl)Cl)C(N=C(O)OCC(Cl)(Cl)Cl)C1CCCCC1

Molecular Weight¹

464.00

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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	0.8579		Relay (1.0) Calculated Property
ΔfG°	-352.19	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-995.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	116.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	-6.46		Relay (1.0) Calculated Property
logPoct/wat	5.150		Crippen Calculated Property
McVol	281.470	ml/mol	McGowan Calculated Property
Pc	1713.19	kPa	Joback Calculated Property
Inp	[3479.00; 3479.00]
Inp	3479.00		NIST
Inp	3479.00		NIST
Tboil	640.80	K	Relay (1.0) Calculated Property
Tc	912.42	K	Relay (1.0) Calculated Property
Tfus	409.70	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Glycine, 2-cyclohexyl-N-(2,2,2-trichloroethoxy)carbonyl-, 2,2,2-trichloroethyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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