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

InChI

InChI=1S/C15H24Cl3NO4/c1-10(2)8-22-13(20)12(11-6-4-3-5-7-11)19-14(21)23-9-15(16,17)18/h10-12H,3-9H2,1-2H3,(H,19,21)

InChI Key

DIJJYKUPSURZAL-UHFFFAOYSA-N

Formula

C15H24Cl3NO4

SMILES

CC(C)COC(=O)C(NC(=O)OCC(Cl)(Cl)Cl)C1CCCCC1

Molecular Weight¹

388.71

• 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	0.7202		Relay (1.0) Calculated Property
ΔfG°	-316.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1000.72	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.24	kJ/mol	Joback Calculated Property
ΔvapH°	95.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-5.53		Relay (1.0) Calculated Property
logPoct/wat	4.231		Crippen Calculated Property
McVol	272.930	ml/mol	McGowan Calculated Property
Pc	1701.90	kPa	Joback Calculated Property
Inp	[3392.00; 3392.00]
Inp	3392.00		NIST
Inp	3392.00		NIST
Tboil	625.82	K	Relay (1.0) Calculated Property
Tc	857.07	K	Relay (1.0) Calculated Property
Tfus	384.37	K	Relay (1.0) Calculated Property
Vc	0.950	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.80; 880.01]	J/mol×K	[873.08; 1096.82]
Cp,gas	815.80	J/mol×K	873.08	Joback Calculated Property
Cp,gas	829.61	J/mol×K	910.37	Joback Calculated Property
Cp,gas	842.12	J/mol×K	947.66	Joback Calculated Property
Cp,gas	853.36	J/mol×K	984.95	Joback Calculated Property
Cp,gas	863.39	J/mol×K	1022.24	Joback Calculated Property
Cp,gas	872.26	J/mol×K	1059.53	Joback Calculated Property
Cp,gas	880.01	J/mol×K	1096.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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