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

InChI

InChI=1S/C13H24ClNO4/c1-4-5-6-9-18-12(16)11(2)15(3)13(17)19-10-7-8-14/h11H,4-10H2,1-3H3

InChI Key

GGBACCKOAOQSJR-UHFFFAOYSA-N

Formula

C13H24ClNO4

SMILES

CCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

293.79

• 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).
• 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
ΔfG°	-312.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-754.74	kJ/mol	Joback Calculated Property
ΔfusH°	38.69	kJ/mol	Joback Calculated Property
ΔvapH°	68.88	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.806		Crippen Calculated Property
McVol	231.130	ml/mol	McGowan Calculated Property
Pc	1728.90	kPa	Joback Calculated Property
Inp	[1913.00; 1913.00]
Inp	1913.00		NIST
Inp	1913.00		NIST
Tboil	698.85	K	Joback Calculated Property
Tc	881.34	K	Joback Calculated Property
Tfus	427.98	K	Joback Calculated Property
Vc	0.873	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[638.55; 715.91]	J/mol×K	[698.85; 881.34]
Cp,gas	638.55	J/mol×K	698.85	Joback Calculated Property
Cp,gas	653.37	J/mol×K	729.27	Joback Calculated Property
Cp,gas	667.41	J/mol×K	759.68	Joback Calculated Property
Cp,gas	680.68	J/mol×K	790.10	Joback Calculated Property
Cp,gas	693.17	J/mol×K	820.51	Joback Calculated Property
Cp,gas	704.91	J/mol×K	850.93	Joback Calculated Property
Cp,gas	715.91	J/mol×K	881.34	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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