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

InChI

InChI=1S/C14H19NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h12H,6,9-11H2,1-3H3,(H,15,17)/t12-/m1/s1

InChI Key

IYRVKEKPXDVZMZ-GFCCVEGCSA-N

Formula

C14H19NO4

SMILES

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

Molecular Weight¹

265.31

• 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°	91.71	kJ/mol	Joback Calculated Property
ΔfH°gas	-229.10	kJ/mol	Joback Calculated Property
ΔfusH°	45.41	kJ/mol	Joback Calculated Property
ΔvapH°	75.42	kJ/mol	Joback Calculated Property
log10WS	-3.28		Crippen Calculated Property
logPoct/wat	1.471		Crippen Calculated Property
McVol	215.780	ml/mol	McGowan Calculated Property
Pc	2206.22	kPa	Joback Calculated Property
Inp	[2001.00; 2001.00]
Inp	2001.00		NIST
Inp	2001.00		NIST
Tboil	740.03	K	Joback Calculated Property
Tc	953.20	K	Joback Calculated Property
Tfus	641.72	K	Joback Calculated Property
Vc	0.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[588.07; 660.31]	J/mol×K	[740.03; 953.20]
Cp,gas	588.07	J/mol×K	740.03	Joback Calculated Property
Cp,gas	602.36	J/mol×K	775.56	Joback Calculated Property
Cp,gas	615.75	J/mol×K	811.09	Joback Calculated Property
Cp,gas	628.25	J/mol×K	846.61	Joback Calculated Property
Cp,gas	639.84	J/mol×K	882.14	Joback Calculated Property
Cp,gas	650.53	J/mol×K	917.67	Joback Calculated Property
Cp,gas	660.31	J/mol×K	953.20	Joback Calculated Property

Similar Compounds

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

Sources

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

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