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

InChI

InChI=1S/C17H31NO3/c1-4-5-12-21-17(20)16(13(2)3)18-15(19)11-10-14-8-6-7-9-14/h13-14,16H,4-12H2,1-3H3,(H,18,19)

InChI Key

JLGZFRVLJPBFFM-UHFFFAOYSA-N

Formula

C17H31NO3

SMILES

CCCCOC(=O)C(NC(=O)CCC1CCCC1)C(C)C

Molecular Weight¹

297.43

• 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°	-149.52	kJ/mol	Joback Calculated Property
ΔfH°gas	-648.20	kJ/mol	Joback Calculated Property
ΔfusH°	36.16	kJ/mol	Joback Calculated Property
ΔvapH°	75.25	kJ/mol	Joback Calculated Property
log10WS	-4.29		Crippen Calculated Property
logPoct/wat	3.441		Crippen Calculated Property
McVol	258.520	ml/mol	McGowan Calculated Property
Pc	1559.81	kPa	Joback Calculated Property
Inp	[2141.00; 2141.00]
Inp	2141.00		NIST
Inp	2141.00		NIST
Tboil	783.09	K	Joback Calculated Property
Tc	981.74	K	Joback Calculated Property
Tfus	437.00	K	Joback Calculated Property
Vc	0.982	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[815.94; 907.62]	J/mol×K	[783.09; 981.74]
Cp,gas	815.94	J/mol×K	783.09	Joback Calculated Property
Cp,gas	833.98	J/mol×K	816.20	Joback Calculated Property
Cp,gas	850.87	J/mol×K	849.31	Joback Calculated Property
Cp,gas	866.64	J/mol×K	882.42	Joback Calculated Property
Cp,gas	881.33	J/mol×K	915.53	Joback Calculated Property
Cp,gas	894.98	J/mol×K	948.64	Joback Calculated Property
Cp,gas	907.62	J/mol×K	981.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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