Chemical Properties of L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester

InChI

InChI=1S/C14H25NO3/c1-9(2)7-12(16)15-13(11(5)6)14(17)18-8-10(3)4/h7,10-11,13H,8H2,1-6H3,(H,15,16)

InChI Key

RGZHFAFXRZUHEO-UHFFFAOYSA-N

Formula

C14H25NO3

SMILES

CC(C)=CC(=O)NC(C(=O)OCC(C)C)C(C)C

Molecular Weight¹

255.35

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.6635		Relay (1.0) Calculated Property
ΔfG°	-142.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-714.56	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.82	kJ/mol	Joback Calculated Property
ΔvapH°	74.63	kJ/mol	Relay (1.0) Calculated Property
IE	8.55	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	2.293		Crippen Calculated Property
McVol	222.810	ml/mol	McGowan Calculated Property
Pc	1796.98	kPa	Joback Calculated Property
Inp	[1755.00; 1755.00]
Inp	1755.00		NIST
Inp	1755.00		NIST
Tboil	543.35	K	Relay (1.0) Calculated Property
Tc	744.59	K	Relay (1.0) Calculated Property
Tfus	342.47	K	Relay (1.0) Calculated Property
Vc	0.791	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[630.37; 713.20]	J/mol×K	[702.77; 897.13]
Cp,gas	630.37	J/mol×K	702.77	Joback Calculated Property
Cp,gas	646.30	J/mol×K	735.16	Joback Calculated Property
Cp,gas	661.34	J/mol×K	767.56	Joback Calculated Property
Cp,gas	675.53	J/mol×K	799.95	Joback Calculated Property
Cp,gas	688.88	J/mol×K	832.34	Joback Calculated Property
Cp,gas	701.43	J/mol×K	864.74	Joback Calculated Property
Cp,gas	713.20	J/mol×K	897.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Valine, N-(3-methylbut-2-enoyl)-, isobutyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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