Chemical Properties of L-Norvaline, N-(but-3-yn-1-yloxycarbonyl)-, but-3-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/h1-2,12H,6-11H2,3H3,(H,15,17)/t12-/m1/s1

InChI Key

UXKBPXMBCZPTDS-GFCCVEGCSA-N

Formula

C14H19NO4

SMILES

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

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°	132.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-189.90	kJ/mol	Joback Calculated Property
ΔfusH°	45.12	kJ/mol	Joback Calculated Property
ΔvapH°	70.83	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	2157.31	kPa	Joback Calculated Property
Inp	[1828.00; 1828.00]
Inp	1828.00		NIST
Inp	1828.00		NIST
Tboil	702.27	K	Joback Calculated Property
Tc	899.58	K	Joback Calculated Property
Tfus	523.46	K	Joback Calculated Property
Vc	0.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[583.26; 653.01]	J/mol×K	[702.27; 899.58]
Cp,gas	583.26	J/mol×K	702.27	Joback Calculated Property
Cp,gas	596.76	J/mol×K	735.15	Joback Calculated Property
Cp,gas	609.50	J/mol×K	768.04	Joback Calculated Property
Cp,gas	621.47	J/mol×K	800.92	Joback Calculated Property
Cp,gas	632.71	J/mol×K	833.81	Joback Calculated Property
Cp,gas	643.22	J/mol×K	866.69	Joback Calculated Property
Cp,gas	653.01	J/mol×K	899.58	Joback Calculated Property

Similar Compounds

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

Sources

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

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