Chemical Properties of l-Valine, N-butyryl-, methyl ester

InChI

InChI=1S/C10H19NO3/c1-5-6-8(12)11-9(7(2)3)10(13)14-4/h7,9H,5-6H2,1-4H3,(H,11,12)

InChI Key

LQGACXLVKKUGID-UHFFFAOYSA-N

Formula

C10H19NO3

SMILES

CCCC(=O)NC(C(=O)OC)C(C)C

Molecular Weight¹

201.26

• 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°	-245.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-564.20	kJ/mol	Joback Calculated Property
ΔfusH°	24.10	kJ/mol	Joback Calculated Property
ΔvapH°	59.42	kJ/mol	Joback Calculated Property
log10WS	-1.71		Crippen Calculated Property
logPoct/wat	1.100		Crippen Calculated Property
McVol	170.750	ml/mol	McGowan Calculated Property
Pc	2402.92	kPa	Joback Calculated Property
Inp	[1380.00; 1380.00]
Inp	1380.00		NIST
Inp	1380.00		NIST
Tboil	607.65	K	Joback Calculated Property
Tc	797.00	K	Joback Calculated Property
Tfus	347.21	K	Joback Calculated Property
Vc	0.648	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[442.48; 516.20]	J/mol×K	[607.65; 797.00]
Cp,gas	442.48	J/mol×K	607.65	Joback Calculated Property
Cp,gas	456.44	J/mol×K	639.21	Joback Calculated Property
Cp,gas	469.72	J/mol×K	670.77	Joback Calculated Property
Cp,gas	482.33	J/mol×K	702.32	Joback Calculated Property
Cp,gas	494.27	J/mol×K	733.88	Joback Calculated Property
Cp,gas	505.56	J/mol×K	765.44	Joback Calculated Property
Cp,gas	516.20	J/mol×K	797.00	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Valine, N-butyryl-, methyl ester.

Sources

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

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