Chemical Properties of DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester

InChI

InChI=1S/C23H44ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-28-22(26)21(2)25(3)23(27)29-20-17-18-24/h21H,4-20H2,1-3H3

InChI Key

NRLOBYKKONJHMO-UHFFFAOYSA-N

Formula

C23H44ClNO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

434.05

• 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	1.1600		Relay (1.0) Calculated Property
ΔfG°	-228.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-1131.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	64.60	kJ/mol	Joback Calculated Property
ΔvapH°	123.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-6.08		Relay (1.0) Calculated Property
logPoct/wat	6.707		Crippen Calculated Property
McVol	372.030	ml/mol	McGowan Calculated Property
Pc	883.14	kPa	Joback Calculated Property
Inp	[2868.00; 2868.00]
Inp	2868.00		NIST
Inp	2868.00		NIST
Tboil	642.62	K	Relay (1.0) Calculated Property
Tc	847.99	K	Relay (1.0) Calculated Property
Tfus	305.50	K	Relay (1.0) Calculated Property
Vc	1.399	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1230.29; 1323.16]	J/mol×K	[927.65; 1137.36]
Cp,gas	1230.29	J/mol×K	927.65	Joback Calculated Property
Cp,gas	1249.17	J/mol×K	962.60	Joback Calculated Property
Cp,gas	1266.63	J/mol×K	997.55	Joback Calculated Property
Cp,gas	1282.71	J/mol×K	1032.51	Joback Calculated Property
Cp,gas	1297.46	J/mol×K	1067.46	Joback Calculated Property
Cp,gas	1310.93	J/mol×K	1102.41	Joback Calculated Property
Cp,gas	1323.16	J/mol×K	1137.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, pentadecyl ester.

Sources

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

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