Chemical Properties of l-Valine, N-(5-chlrovaleryl)-, methyl ester

InChI

InChI=1S/C11H20ClNO3/c1-8(2)10(11(15)16-3)13-9(14)6-4-5-7-12/h8,10H,4-7H2,1-3H3,(H,13,14)

InChI Key

ZDCLUYAODLSBMX-UHFFFAOYSA-N

Formula

C11H20ClNO3

SMILES

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

Molecular Weight¹

249.73

• 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	0.6640		Relay (1.0) Calculated Property
ΔfG°	-248.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-751.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.88	kJ/mol	Joback Calculated Property
ΔvapH°	82.58	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-2.40		Relay (1.0) Calculated Property
logPoct/wat	1.709		Crippen Calculated Property
McVol	197.080	ml/mol	McGowan Calculated Property
Pc	2117.78	kPa	Joback Calculated Property
Inp	[1726.00; 1726.00]
Inp	1726.00		NIST
Inp	1726.00		NIST
Tboil	537.66	K	Relay (1.0) Calculated Property
Tc	754.81	K	Relay (1.0) Calculated Property
Tfus	341.00	K	Relay (1.0) Calculated Property
Vc	0.684	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.39; 592.85]	J/mol×K	[667.96; 859.44]
Cp,gas	521.39	J/mol×K	667.96	Joback Calculated Property
Cp,gas	535.11	J/mol×K	699.87	Joback Calculated Property
Cp,gas	548.09	J/mol×K	731.79	Joback Calculated Property
Cp,gas	560.35	J/mol×K	763.70	Joback Calculated Property
Cp,gas	571.88	J/mol×K	795.61	Joback Calculated Property
Cp,gas	582.71	J/mol×K	827.53	Joback Calculated Property
Cp,gas	592.85	J/mol×K	859.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, N-(5-chlrovaleryl)-, methyl ester.

Sources

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

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