Chemical Properties of L-Norvaline, N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester

InChI

InChI=1S/C14H23NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h4-5,12H,1-2,6-11H2,3H3,(H,15,17)/t12-/m1/s1

InChI Key

LVNAMIAGQDBPCA-GFCCVEGCSA-N

Formula

C14H23NO4

SMILES

C=CCCOC(=O)NC(CCC)C(=O)OCCC=C

Molecular Weight¹

269.34

• 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	0.7529		Relay (1.0) Calculated Property
ΔfG°	-138.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-774.24	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	36.61	kJ/mol	Joback Calculated Property
ΔvapH°	83.95	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-2.85		Relay (1.0) Calculated Property
logPoct/wat	2.577		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	1787.88	kPa	Joback Calculated Property
Inp	[1785.00; 1785.00]
Inp	1785.00		NIST
Inp	1785.00		NIST
Tboil	583.09	K	Relay (1.0) Calculated Property
Tc	759.14	K	Relay (1.0) Calculated Property
Tfus	263.65	K	Relay (1.0) Calculated Property
Vc	0.778	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[632.60; 707.82]	J/mol×K	[715.39; 901.02]
Cp,gas	632.60	J/mol×K	715.39	Joback Calculated Property
Cp,gas	647.08	J/mol×K	746.33	Joback Calculated Property
Cp,gas	660.76	J/mol×K	777.27	Joback Calculated Property
Cp,gas	673.66	J/mol×K	808.21	Joback Calculated Property
Cp,gas	685.80	J/mol×K	839.15	Joback Calculated Property
Cp,gas	697.18	J/mol×K	870.08	Joback Calculated Property
Cp,gas	707.82	J/mol×K	901.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester.

Sources

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

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