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

InChI

InChI=1S/C19H36ClNO4/c1-5-6-7-8-9-10-11-12-13-24-18(22)17(3)21(4)19(23)25-15-16(2)14-20/h16-17H,5-15H2,1-4H3

InChI Key

STGRGNRYPKIAJH-UHFFFAOYSA-N

Formula

C19H36ClNO4

SMILES

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

Molecular Weight¹

377.95

• 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	0.9738		Relay (1.0) Calculated Property
ΔfG°	-264.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-1082.87	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.71	kJ/mol	Joback Calculated Property
ΔvapH°	103.84	kJ/mol	Relay (1.0) Calculated Property
IE	9.03	eV	Relay (1.0) Calculated Property
log10WS	-4.84		Relay (1.0) Calculated Property
logPoct/wat	5.002		Crippen Calculated Property
McVol	315.670	ml/mol	McGowan Calculated Property
Pc	1131.38	kPa	Joback Calculated Property
Inp	[2304.00; 2304.00]
Inp	2304.00		NIST
Inp	2304.00		NIST
Tboil	615.03	K	Relay (1.0) Calculated Property
Tc	817.89	K	Relay (1.0) Calculated Property
Tfus	283.71	K	Relay (1.0) Calculated Property
Vc	1.173	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[984.47; 1071.73]	J/mol×K	[835.69; 1026.06]
Cp,gas	984.47	J/mol×K	835.69	Joback Calculated Property
Cp,gas	1001.67	J/mol×K	867.42	Joback Calculated Property
Cp,gas	1017.78	J/mol×K	899.15	Joback Calculated Property
Cp,gas	1032.81	J/mol×K	930.88	Joback Calculated Property
Cp,gas	1046.80	J/mol×K	962.60	Joback Calculated Property
Cp,gas	1059.76	J/mol×K	994.33	Joback Calculated Property
Cp,gas	1071.73	J/mol×K	1026.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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