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

InChI

InChI=1S/C17H31NO3/c1-12(2)11-21-17(20)16(13(3)4)18-15(19)10-9-14-7-5-6-8-14/h12-14,16H,5-11H2,1-4H3,(H,18,19)

InChI Key

VXMFHAIWAMMATP-UHFFFAOYSA-N

Formula

C17H31NO3

SMILES

CC(C)COC(=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°	-151.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-653.48	kJ/mol	Joback Calculated Property
ΔfusH°	32.64	kJ/mol	Joback Calculated Property
ΔvapH°	74.87	kJ/mol	Joback Calculated Property
log10WS	-4.05		Crippen Calculated Property
logPoct/wat	3.297		Crippen Calculated Property
McVol	258.520	ml/mol	McGowan Calculated Property
Pc	1569.72	kPa	Joback Calculated Property
Inp	[2097.00; 2097.00]
Inp	2097.00		NIST
Inp	2097.00		NIST
Tboil	782.65	K	Joback Calculated Property
Tc	983.75	K	Joback Calculated Property
Tfus	422.00	K	Joback Calculated Property
Vc	0.976	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[816.44; 908.92]	J/mol×K	[782.65; 983.75]
Cp,gas	816.44	J/mol×K	782.65	Joback Calculated Property
Cp,gas	834.71	J/mol×K	816.17	Joback Calculated Property
Cp,gas	851.78	J/mol×K	849.68	Joback Calculated Property
Cp,gas	867.70	J/mol×K	883.20	Joback Calculated Property
Cp,gas	882.51	J/mol×K	916.72	Joback Calculated Property
Cp,gas	896.24	J/mol×K	950.23	Joback Calculated Property
Cp,gas	908.92	J/mol×K	983.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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