Chemical Properties of l-Valine, N-(4-butylbenzoyl)-, methyl ester

InChI

InChI=1S/C17H25NO3/c1-5-6-7-13-8-10-14(11-9-13)16(19)18-15(12(2)3)17(20)21-4/h8-12,15H,5-7H2,1-4H3,(H,18,19)

InChI Key

RBRGEJUNVSRVJT-UHFFFAOYSA-N

Formula

C17H25NO3

SMILES

CCCCc1ccc(C(=O)NC(C(=O)OC)C(C)C)cc1

Molecular Weight¹

291.39

• 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°	-83.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-483.62	kJ/mol	Joback Calculated Property
ΔfusH°	35.88	kJ/mol	Joback Calculated Property
ΔvapH°	77.94	kJ/mol	Joback Calculated Property
log10WS	-4.28		Crippen Calculated Property
logPoct/wat	2.957		Crippen Calculated Property
McVol	245.620	ml/mol	McGowan Calculated Property
Pc	1741.91	kPa	Joback Calculated Property
Inp	[2191.00; 2191.00]
Inp	2191.00		NIST
Inp	2191.00		NIST
Tboil	799.47	K	Joback Calculated Property
Tc	1007.62	K	Joback Calculated Property
Tfus	465.04	K	Joback Calculated Property
Vc	0.932	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[734.43; 811.50]	J/mol×K	[799.47; 1007.62]
Cp,gas	734.43	J/mol×K	799.47	Joback Calculated Property
Cp,gas	749.88	J/mol×K	834.16	Joback Calculated Property
Cp,gas	764.24	J/mol×K	868.85	Joback Calculated Property
Cp,gas	777.56	J/mol×K	903.54	Joback Calculated Property
Cp,gas	789.85	J/mol×K	938.23	Joback Calculated Property
Cp,gas	801.16	J/mol×K	972.92	Joback Calculated Property
Cp,gas	811.50	J/mol×K	1007.62	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, N-(4-butylbenzoyl)-, methyl ester.

Sources

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

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