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

InChI

InChI=1S/C14H23NO4/c1-4-7-10-18-13(16)12(9-6-3)15-14(17)19-11-8-5-2/h12H,4,6-7,9-11H2,1-3H3,(H,15,17)/t12-/m1/s1

InChI Key

SSUIVHMTPORNSJ-GFCCVEGCSA-N

Formula

C14H23NO4

SMILES

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

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°	-111.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-501.40	kJ/mol	Joback Calculated Property
ΔfusH°	42.29	kJ/mol	Joback Calculated Property
ΔvapH°	73.27	kJ/mol	Joback Calculated Property
log10WS	-3.48		Crippen Calculated Property
logPoct/wat	2.248		Crippen Calculated Property
McVol	224.380	ml/mol	McGowan Calculated Property
Pc	1908.57	kPa	Joback Calculated Property
Inp	[1927.00; 1927.00]
Inp	1927.00		NIST
Inp	1927.00		NIST
Tboil	731.03	K	Joback Calculated Property
Tc	926.74	K	Joback Calculated Property
Tfus	535.62	K	Joback Calculated Property
Vc	0.859	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.23; 711.98]	J/mol×K	[731.03; 926.74]
Cp,gas	635.23	J/mol×K	731.03	Joback Calculated Property
Cp,gas	650.14	J/mol×K	763.65	Joback Calculated Property
Cp,gas	664.19	J/mol×K	796.27	Joback Calculated Property
Cp,gas	677.40	J/mol×K	828.89	Joback Calculated Property
Cp,gas	689.76	J/mol×K	861.50	Joback Calculated Property
Cp,gas	701.29	J/mol×K	894.12	Joback Calculated Property
Cp,gas	711.98	J/mol×K	926.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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