Chemical Properties of l-Alanine, N-(5-chlorovaleryl)-, methyl ester

InChI

InChI=1S/C9H16ClNO3/c1-7(9(13)14-2)11-8(12)5-3-4-6-10/h7H,3-6H2,1-2H3,(H,11,12)

InChI Key

XARKWCNFPJCPGN-UHFFFAOYSA-N

Formula

C9H16ClNO3

SMILES

COC(=O)C(C)NC(=O)CCCCCl

Molecular Weight¹

221.68

• 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°	-262.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-554.02	kJ/mol	Joback Calculated Property
ΔfusH°	29.23	kJ/mol	Joback Calculated Property
ΔvapH°	61.96	kJ/mol	Joback Calculated Property
log10WS	-1.68		Crippen Calculated Property
logPoct/wat	1.073		Crippen Calculated Property
McVol	168.900	ml/mol	McGowan Calculated Property
Pc	2527.73	kPa	Joback Calculated Property
Inp	[1598.00; 1598.00]
Inp	1598.00		NIST
Inp	1598.00		NIST
Tboil	622.64	K	Joback Calculated Property
Tc	814.83	K	Joback Calculated Property
Tfus	380.86	K	Joback Calculated Property
Vc	0.647	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[419.91; 484.10]	J/mol×K	[622.64; 814.83]
Cp,gas	419.91	J/mol×K	622.64	Joback Calculated Property
Cp,gas	432.16	J/mol×K	654.67	Joback Calculated Property
Cp,gas	443.77	J/mol×K	686.70	Joback Calculated Property
Cp,gas	454.77	J/mol×K	718.73	Joback Calculated Property
Cp,gas	465.15	J/mol×K	750.77	Joback Calculated Property
Cp,gas	474.92	J/mol×K	782.80	Joback Calculated Property
Cp,gas	484.10	J/mol×K	814.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Alanine, N-(5-chlorovaleryl)-, methyl ester.

Sources

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

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