Chemical Properties of L-Norvaline, N-(but-2-yn-1-yloxycarbonyl)-, isobutyl ester

InChI

InChI=1S/C14H23NO4/c1-5-7-9-18-14(17)15-12(8-6-2)13(16)19-10-11(3)4/h11-12H,6,8-10H2,1-4H3,(H,15,17)/t12-/m1/s1

InChI Key

CYKIIULNSVDJFX-GFCCVEGCSA-N

Formula

C14H23NO4

SMILES

CC#CCOC(=O)NC(CCC)C(=O)OCC(C)C

Molecular Weight¹

269.34

• 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°	-113.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-506.68	kJ/mol	Joback Calculated Property
ΔfusH°	38.76	kJ/mol	Joback Calculated Property
ΔvapH°	72.88	kJ/mol	Joback Calculated Property
log10WS	-3.24		Crippen Calculated Property
logPoct/wat	2.104		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	1921.98	kPa	Joback Calculated Property
Inp	[1888.00; 1888.00]
Inp	1888.00		NIST
Inp	1888.00		NIST
Tboil	730.59	K	Joback Calculated Property
Tc	929.12	K	Joback Calculated Property
Tfus	520.62	K	Joback Calculated Property
Vc	0.853	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.76; 713.38]	J/mol×K	[730.59; 929.12]
Cp,gas	635.76	J/mol×K	730.59	Joback Calculated Property
Cp,gas	650.90	J/mol×K	763.68	Joback Calculated Property
Cp,gas	665.15	J/mol×K	796.77	Joback Calculated Property
Cp,gas	678.52	J/mol×K	829.86	Joback Calculated Property
Cp,gas	691.01	J/mol×K	862.95	Joback Calculated Property
Cp,gas	702.63	J/mol×K	896.04	Joback Calculated Property
Cp,gas	713.38	J/mol×K	929.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-(but-2-yn-1-yloxycarbonyl)-, isobutyl ester.

Sources

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

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