Chemical Properties of L-Valine, N-(3-cyclopentylpropionyl)-, pentyl ester

InChI

InChI=1S/C18H33NO3/c1-4-5-8-13-22-18(21)17(14(2)3)19-16(20)12-11-15-9-6-7-10-15/h14-15,17H,4-13H2,1-3H3,(H,19,20)

InChI Key

PQNAJFIGWOKABP-UHFFFAOYSA-N

Formula

C18H33NO3

SMILES

CCCCCOC(=O)C(N=C(O)CCC1CCCC1)C(C)C

Molecular Weight¹

311.46

• ω : Acentric Factor.
• Δ_fH°_gas : Enthalpy of formation 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	0.9179		Relay (1.0) Calculated Property
ΔfH°gas	-820.03	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	111.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-4.04		Relay (1.0) Calculated Property
logPoct/wat	4.671		Crippen Calculated Property
McVol	272.610	ml/mol	McGowan Calculated Property
Pc	1319.43	kPa	Joback Calculated Property
Inp	[2235.00; 2235.00]
Inp	2235.00		NIST
Inp	2235.00		NIST
Tboil	629.19	K	Relay (1.0) Calculated Property
Tc	833.80	K	Relay (1.0) Calculated Property
Tfus	347.73	K	Relay (1.0) Calculated Property
Vc	0.982	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Similar Compounds

Find more compounds similar to L-Valine, N-(3-cyclopentylpropionyl)-, pentyl ester.

Sources

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

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