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

InChI

InChI=1S/C28H54ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-33-27(31)26(24-25(2)3)30(4)28(32)34-23-20-21-29/h25-26H,5-24H2,1-4H3/t26-/m1/s1

InChI Key

CLKAWMODSXBRNK-AREMUKBSSA-N

Formula

C28H54ClNO4

SMILES

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

Molecular Weight¹

504.19

• 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	1.2904		Relay (1.0) Calculated Property
ΔfG°	-188.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1223.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.02	kJ/mol	Joback Calculated Property
ΔvapH°	136.63	kJ/mol	Relay (1.0) Calculated Property
IE	9.33	eV	Relay (1.0) Calculated Property
log10WS	-7.56		Relay (1.0) Calculated Property
logPoct/wat	8.513		Crippen Calculated Property
McVol	442.480	ml/mol	McGowan Calculated Property
Pc	679.23	kPa	Joback Calculated Property
Inp	[3312.00; 3312.00]
Inp	3312.00		NIST
Inp	3312.00		NIST
Tboil	679.84	K	Relay (1.0) Calculated Property
Tc	876.13	K	Relay (1.0) Calculated Property
Tfus	297.07	K	Relay (1.0) Calculated Property
Vc	1.647	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1549.48; 1648.33]	J/mol×K	[1041.61; 1298.77]
Cp,gas	1549.48	J/mol×K	1041.61	Joback Calculated Property
Cp,gas	1571.08	J/mol×K	1084.47	Joback Calculated Property
Cp,gas	1590.48	J/mol×K	1127.33	Joback Calculated Property
Cp,gas	1607.80	J/mol×K	1170.19	Joback Calculated Property
Cp,gas	1623.13	J/mol×K	1213.05	Joback Calculated Property
Cp,gas	1636.61	J/mol×K	1255.91	Joback Calculated Property
Cp,gas	1648.33	J/mol×K	1298.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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