Chemical Properties of L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, isohexyl ester

InChI

InChI=1S/C17H32ClNO4/c1-13(2)8-6-10-22-16(20)15(12-14(3)4)19(5)17(21)23-11-7-9-18/h13-15H,6-12H2,1-5H3/t15-/m1/s1

InChI Key

QGCZEHTXFJPSPR-OAHLLOKOSA-N

Formula

C17H32ClNO4

SMILES

CC(C)CCCOC(=O)C(CC(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

349.89

• 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	0.8695		Relay (1.0) Calculated Property
ΔfG°	-284.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1025.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	42.01	kJ/mol	Joback Calculated Property
ΔvapH°	92.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.06	eV	Relay (1.0) Calculated Property
log10WS	-3.97		Relay (1.0) Calculated Property
logPoct/wat	4.078		Crippen Calculated Property
McVol	287.490	ml/mol	McGowan Calculated Property
Pc	1300.47	kPa	Joback Calculated Property
Inp	[2138.00; 2138.00]
Inp	2138.00		NIST
Inp	2138.00		NIST
Tboil	602.57	K	Relay (1.0) Calculated Property
Tc	792.26	K	Relay (1.0) Calculated Property
Tfus	258.19	K	Relay (1.0) Calculated Property
Vc	1.037	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[866.08; 951.23]	J/mol×K	[789.49; 977.01]
Cp,gas	866.08	J/mol×K	789.49	Joback Calculated Property
Cp,gas	882.74	J/mol×K	820.74	Joback Calculated Property
Cp,gas	898.38	J/mol×K	852.00	Joback Calculated Property
Cp,gas	913.03	J/mol×K	883.25	Joback Calculated Property
Cp,gas	926.71	J/mol×K	914.51	Joback Calculated Property
Cp,gas	939.44	J/mol×K	945.76	Joback Calculated Property
Cp,gas	951.23	J/mol×K	977.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Leucine, N-methyl-N-(3-chloropropoxycarbonyl)-, isohexyl ester.

Sources

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

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