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

InChI

InChI=1S/C13H23NO3/c1-6-7-17-13(16)12(10(4)5)14-11(15)8-9(2)3/h8,10,12H,6-7H2,1-5H3,(H,14,15)

InChI Key

QOVHIZMKMNZFNV-UHFFFAOYSA-N

Formula

C13H23NO3

SMILES

CCCOC(=O)C(NC(=O)C=C(C)C)C(C)C

Molecular Weight¹

241.33

• 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	0.6470		Relay (1.0) Calculated Property
ΔfG°	-148.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-682.70	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	30.76	kJ/mol	Joback Calculated Property
ΔvapH°	72.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.48	eV	Relay (1.0) Calculated Property
log10WS	-3.04		Relay (1.0) Calculated Property
logPoct/wat	2.047		Crippen Calculated Property
McVol	208.720	ml/mol	McGowan Calculated Property
Pc	1938.95	kPa	Joback Calculated Property
Inp	[1708.00; 1708.00]
Inp	1708.00		NIST
Inp	1708.00		NIST
Tboil	537.12	K	Relay (1.0) Calculated Property
Tc	735.23	K	Relay (1.0) Calculated Property
Tfus	337.96	K	Relay (1.0) Calculated Property
Vc	0.735	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.80; 655.43]	J/mol×K	[680.33; 873.36]
Cp,gas	575.80	J/mol×K	680.33	Joback Calculated Property
Cp,gas	591.06	J/mol×K	712.50	Joback Calculated Property
Cp,gas	605.48	J/mol×K	744.67	Joback Calculated Property
Cp,gas	619.11	J/mol×K	776.85	Joback Calculated Property
Cp,gas	631.96	J/mol×K	809.02	Joback Calculated Property
Cp,gas	644.05	J/mol×K	841.19	Joback Calculated Property
Cp,gas	655.43	J/mol×K	873.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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