Chemical Properties of L-Valine, N-(4-methylbenzoyl)-, pentyl ester

InChI

InChI=1S/C18H27NO3/c1-5-6-7-12-22-18(21)16(13(2)3)19-17(20)15-10-8-14(4)9-11-15/h8-11,13,16H,5-7,12H2,1-4H3,(H,19,20)

InChI Key

HFODYSNJIPEODA-UHFFFAOYSA-N

Formula

C18H27NO3

SMILES

CCCCCOC(=O)C(NC(=O)c1ccc(C)cc1)C(C)C

Molecular Weight¹

305.41

• 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°	-74.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-504.26	kJ/mol	Joback Calculated Property
ΔfusH°	38.47	kJ/mol	Joback Calculated Property
ΔvapH°	80.16	kJ/mol	Joback Calculated Property
log10WS	-4.79		Crippen Calculated Property
logPoct/wat	3.483		Crippen Calculated Property
McVol	259.710	ml/mol	McGowan Calculated Property
Pc	1610.29	kPa	Joback Calculated Property
Inp	[2306.00; 2306.00]
Inp	2306.00		NIST
Inp	2306.00		NIST
Tboil	822.35	K	Joback Calculated Property
Tc	1029.42	K	Joback Calculated Property
Tfus	476.31	K	Joback Calculated Property
Vc	0.989	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[791.78; 869.75]	J/mol×K	[822.35; 1029.42]
Cp,gas	791.78	J/mol×K	822.35	Joback Calculated Property
Cp,gas	807.44	J/mol×K	856.86	Joback Calculated Property
Cp,gas	821.98	J/mol×K	891.37	Joback Calculated Property
Cp,gas	835.45	J/mol×K	925.88	Joback Calculated Property
Cp,gas	847.88	J/mol×K	960.39	Joback Calculated Property
Cp,gas	859.30	J/mol×K	994.91	Joback Calculated Property
Cp,gas	869.75	J/mol×K	1029.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(4-methylbenzoyl)-, pentyl ester.

Sources

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

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