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

InChI

InChI=1S/C25H48ClNO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-24(28)23(2)27(3)25(29)31-22-19-20-26/h23H,4-22H2,1-3H3

InChI Key

LIDSLBJINJRGNI-UHFFFAOYSA-N

Formula

C25H48ClNO4

SMILES

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

Molecular Weight¹

462.11

• 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	1.2304		Relay (1.0) Calculated Property
ΔfG°	-211.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1171.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	69.77	kJ/mol	Joback Calculated Property
ΔvapH°	130.99	kJ/mol	Relay (1.0) Calculated Property
IE	9.32	eV	Relay (1.0) Calculated Property
log10WS	-6.71		Relay (1.0) Calculated Property
logPoct/wat	7.487		Crippen Calculated Property
McVol	400.210	ml/mol	McGowan Calculated Property
Pc	790.37	kPa	Joback Calculated Property
Inp	[3069.00; 3069.00]
Inp	3069.00		NIST
Inp	3069.00		NIST
Tboil	655.60	K	Relay (1.0) Calculated Property
Tc	860.84	K	Relay (1.0) Calculated Property
Tfus	311.54	K	Relay (1.0) Calculated Property
Vc	1.509	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1356.71; 1452.58]	J/mol×K	[973.41; 1199.40]
Cp,gas	1356.71	J/mol×K	973.41	Joback Calculated Property
Cp,gas	1376.67	J/mol×K	1011.08	Joback Calculated Property
Cp,gas	1394.95	J/mol×K	1048.74	Joback Calculated Property
Cp,gas	1411.62	J/mol×K	1086.41	Joback Calculated Property
Cp,gas	1426.74	J/mol×K	1124.07	Joback Calculated Property
Cp,gas	1440.37	J/mol×K	1161.74	Joback Calculated Property
Cp,gas	1452.58	J/mol×K	1199.40	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, 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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