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

InChI

InChI=1S/C15H28ClNO4/c1-4-5-6-7-8-11-20-14(18)13(2)17(3)15(19)21-12-9-10-16/h13H,4-12H2,1-3H3

InChI Key

SSBVBVPJGZVGMH-UHFFFAOYSA-N

Formula

C15H28ClNO4

SMILES

CCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

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	0.8746		Relay (1.0) Calculated Property
ΔfG°	-296.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-967.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.87	kJ/mol	Joback Calculated Property
ΔvapH°	91.71	kJ/mol	Relay (1.0) Calculated Property
IE	9.09	eV	Relay (1.0) Calculated Property
log10WS	-3.45		Relay (1.0) Calculated Property
logPoct/wat	3.586		Crippen Calculated Property
McVol	259.310	ml/mol	McGowan Calculated Property
Pc	1482.71	kPa	Joback Calculated Property
Inp	[2094.00; 2094.00]
Inp	2094.00		NIST
Inp	2094.00		NIST
Tboil	587.03	K	Relay (1.0) Calculated Property
Tc	786.49	K	Relay (1.0) Calculated Property
Tfus	270.85	K	Relay (1.0) Calculated Property
Vc	0.958	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[749.71; 830.84]	J/mol×K	[744.61; 927.07]
Cp,gas	749.71	J/mol×K	744.61	Joback Calculated Property
Cp,gas	765.36	J/mol×K	775.02	Joback Calculated Property
Cp,gas	780.14	J/mol×K	805.43	Joback Calculated Property
Cp,gas	794.06	J/mol×K	835.84	Joback Calculated Property
Cp,gas	807.14	J/mol×K	866.25	Joback Calculated Property
Cp,gas	819.40	J/mol×K	896.66	Joback Calculated Property
Cp,gas	830.84	J/mol×K	927.07	Joback Calculated Property

Similar Compounds

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

Sources

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

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