Chemical Properties of L-Valine, N-(5-chlorovaleryl)-, butyl ester

InChI

InChI=1S/C14H26ClNO3/c1-4-5-10-19-14(18)13(11(2)3)16-12(17)8-6-7-9-15/h11,13H,4-10H2,1-3H3,(H,16,17)

InChI Key

WCEGVVOWCOOSRY-UHFFFAOYSA-N

Formula

C14H26ClNO3

SMILES

CCCCOC(=O)C(NC(=O)CCCCCl)C(C)C

Molecular Weight¹

291.81

• 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°	-223.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-662.50	kJ/mol	Joback Calculated Property
ΔfusH°	38.65	kJ/mol	Joback Calculated Property
ΔvapH°	72.70	kJ/mol	Joback Calculated Property
log10WS	-3.53		Crippen Calculated Property
logPoct/wat	2.880		Crippen Calculated Property
McVol	239.350	ml/mol	McGowan Calculated Property
Pc	1651.11	kPa	Joback Calculated Property
Inp	[2060.00; 2060.00]
Inp	2060.00		NIST
Inp	2060.00		NIST
Tboil	736.60	K	Joback Calculated Property
Tc	924.73	K	Joback Calculated Property
Tfus	422.21	K	Joback Calculated Property
Vc	0.921	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[682.91; 760.99]	J/mol×K	[736.60; 924.73]
Cp,gas	682.91	J/mol×K	736.60	Joback Calculated Property
Cp,gas	697.99	J/mol×K	767.95	Joback Calculated Property
Cp,gas	712.21	J/mol×K	799.31	Joback Calculated Property
Cp,gas	725.61	J/mol×K	830.66	Joback Calculated Property
Cp,gas	738.19	J/mol×K	862.02	Joback Calculated Property
Cp,gas	749.98	J/mol×K	893.37	Joback Calculated Property
Cp,gas	760.99	J/mol×K	924.73	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(5-chlorovaleryl)-, butyl ester.

Sources

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

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