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

InChI

InChI=1S/C15H28ClNO3/c1-4-5-8-11-20-15(19)14(12(2)3)17-13(18)9-6-7-10-16/h12,14H,4-11H2,1-3H3,(H,17,18)

InChI Key

XHDWNENBSOXOHU-UHFFFAOYSA-N

Formula

C15H28ClNO3

SMILES

CCCCCOC(=O)C(NC(=O)CCCCCl)C(C)C

Molecular Weight¹

305.84

• 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	0.8176		Relay (1.0) Calculated Property
ΔfG°	-214.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-839.43	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.24	kJ/mol	Joback Calculated Property
ΔvapH°	89.18	kJ/mol	Relay (1.0) Calculated Property
IE	9.05	eV	Relay (1.0) Calculated Property
log10WS	-3.81		Relay (1.0) Calculated Property
logPoct/wat	3.270		Crippen Calculated Property
McVol	253.440	ml/mol	McGowan Calculated Property
Pc	1529.46	kPa	Joback Calculated Property
Inp	[2148.00; 2148.00]
Inp	2148.00		NIST
Inp	2148.00		NIST
Tboil	569.98	K	Relay (1.0) Calculated Property
Tc	792.35	K	Relay (1.0) Calculated Property
Tfus	323.98	K	Relay (1.0) Calculated Property
Vc	0.903	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[739.07; 818.89]	J/mol×K	[759.48; 947.48]
Cp,gas	739.07	J/mol×K	759.48	Joback Calculated Property
Cp,gas	754.52	J/mol×K	790.81	Joback Calculated Property
Cp,gas	769.09	J/mol×K	822.15	Joback Calculated Property
Cp,gas	782.78	J/mol×K	853.48	Joback Calculated Property
Cp,gas	795.64	J/mol×K	884.81	Joback Calculated Property
Cp,gas	807.67	J/mol×K	916.15	Joback Calculated Property
Cp,gas	818.89	J/mol×K	947.48	Joback Calculated Property

Similar Compounds

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

Sources

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

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