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

InChI

InChI=1S/C14H25Cl2NO4/c1-11(2)10-12(13(18)20-8-4-6-15)17(3)14(19)21-9-5-7-16/h11-12H,4-10H2,1-3H3/t12-/m1/s1

InChI Key

MEZUTZGCLKKPRY-GFCCVEGCSA-N

Formula

C14H25Cl2NO4

SMILES

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

Molecular Weight¹

342.26

• 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	0.8418		Relay (... Calculated Property
ΔfG°	-318.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-959.25	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.96	kJ/mol	Joback Calculated Property
ΔvapH°	92.09	kJ/mol	Relay (... Calculated Property
IE	9.23	eV	Relay (... Calculated Property
log10WS	-3.31		Relay (... Calculated Property
logPoct/wat	3.271		Crippen Calculated Property
McVol	257.460	ml/mol	McGowan Calculated Property
Pc	1562.28	kPa	Joback Calculated Property
Inp	[2173.00; 2173.00]
Inp	2173.00		NIST
Inp	2173.00		NIST
Tboil	594.03	K	Relay (... Calculated Property
Tc	798.69	K	Relay (... Calculated Property
Tfus	259.14	K	Relay (... Calculated Property
Vc	0.913	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[723.00; 797.07]	J/mol×K	[758.72; 947.78]
Cp,gas	723.00	J/mol×K	758.72	Joback Calculated Property
Cp,gas	737.50	J/mol×K	790.23	Joback Calculated Property
Cp,gas	751.11	J/mol×K	821.74	Joback Calculated Property
Cp,gas	763.86	J/mol×K	853.25	Joback Calculated Property
Cp,gas	775.76	J/mol×K	884.76	Joback Calculated Property
Cp,gas	786.82	J/mol×K	916.27	Joback Calculated Property
Cp,gas	797.07	J/mol×K	947.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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