Chemical Properties of DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, hexyl ester

InChI

InChI=1S/C15H28ClNO4/c1-5-6-7-8-9-20-14(18)13(3)17(4)15(19)21-11-12(2)10-16/h12-13H,5-11H2,1-4H3

InChI Key

ZOUPGIACDVMQQM-UHFFFAOYSA-N

Formula

C15H28ClNO4

SMILES

CCCCCCOC(=O)C(C)N(C)C(=O)OCC(C)CCl

Molecular Weight¹

321.84

• 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	0.8283		Relay (1.0) Calculated Property
ΔfG°	-298.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-1002.01	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.35	kJ/mol	Joback Calculated Property
ΔvapH°	88.60	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-3.40		Relay (1.0) Calculated Property
logPoct/wat	3.442		Crippen Calculated Property
McVol	259.310	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
Inp	[1942.00; 1942.00]
Inp	1942.00		NIST
Inp	1942.00		NIST
Tboil	585.32	K	Relay (1.0) Calculated Property
Tc	782.23	K	Relay (1.0) Calculated Property
Tfus	265.23	K	Relay (1.0) Calculated Property
Vc	0.953	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[750.23; 832.04]	J/mol×K	[744.17; 928.55]
Cp,gas	750.23	J/mol×K	744.17	Joback Calculated Property
Cp,gas	766.05	J/mol×K	774.90	Joback Calculated Property
Cp,gas	780.98	J/mol×K	805.63	Joback Calculated Property
Cp,gas	795.03	J/mol×K	836.36	Joback Calculated Property
Cp,gas	808.21	J/mol×K	867.09	Joback Calculated Property
Cp,gas	820.54	J/mol×K	897.82	Joback Calculated Property
Cp,gas	832.04	J/mol×K	928.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloro-2-methylpropoxycarbonyl)-, hexyl ester.

Sources

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

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