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

InChI

InChI=1S/C16H27NO4/c1-4-7-9-10-13-20-15(18)14(11-6-3)17-16(19)21-12-8-5-2/h14H,4,6-7,9-13H2,1-3H3,(H,17,19)/t14-/m1/s1

InChI Key

DYMGPVRWKSWHJQ-CQSZACIVSA-N

Formula

C16H27NO4

SMILES

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

Molecular Weight¹

297.39

• 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	0.8035		Relay (1.0) Calculated Property
ΔfG°	-94.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-713.09	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	47.47	kJ/mol	Joback Calculated Property
ΔvapH°	93.04	kJ/mol	Relay (1.0) Calculated Property
IE	8.79	eV	Relay (1.0) Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	3.028		Crippen Calculated Property
McVol	252.560	ml/mol	McGowan Calculated Property
Pc	1624.60	kPa	Joback Calculated Property
Inp	[2103.00; 2103.00]
Inp	2103.00		NIST
Inp	2103.00		NIST
Tboil	576.41	K	Relay (1.0) Calculated Property
Tc	788.93	K	Relay (1.0) Calculated Property
Tfus	314.58	K	Relay (1.0) Calculated Property
Vc	0.902	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[747.18; 827.01]	J/mol×K	[776.79; 970.94]
Cp,gas	747.18	J/mol×K	776.79	Joback Calculated Property
Cp,gas	762.80	J/mol×K	809.15	Joback Calculated Property
Cp,gas	777.49	J/mol×K	841.51	Joback Calculated Property
Cp,gas	791.25	J/mol×K	873.87	Joback Calculated Property
Cp,gas	804.08	J/mol×K	906.23	Joback Calculated Property
Cp,gas	816.00	J/mol×K	938.58	Joback Calculated Property
Cp,gas	827.01	J/mol×K	970.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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