Chemical Properties of l-Norvaline, N-methoxycarbonyl-, hexyl ester

InChI

InChI=1S/C13H25NO4/c1-4-6-7-8-10-18-12(15)11(9-5-2)14-13(16)17-3/h11H,4-10H2,1-3H3,(H,14,16)

InChI Key

UIWSSVSQAJKJTR-UHFFFAOYSA-N

Formula

C13H25NO4

SMILES

CCCCCCOC(=O)C(CCC)NC(=O)OC

Molecular Weight¹

259.34

• 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	0.7992		Relay (... Calculated Property
ΔfG°	-322.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-924.82	kJ/mol	Relay (... Calculated Property
ΔfusH°	36.58	kJ/mol	Joback Calculated Property
ΔvapH°	84.76	kJ/mol	Relay (... Calculated Property
IE	9.11	eV	Relay (... Calculated Property
log10WS	-3.24		Relay (... Calculated Property
logPoct/wat	2.635		Crippen Calculated Property
McVol	218.890	ml/mol	McGowan Calculated Property
Pc	1806.16	kPa	Joback Calculated Property
Inp	[1626.00; 1626.00]
Inp	1626.00		NIST
Inp	1626.00		NIST
Tboil	553.48	K	Relay (... Calculated Property
Tc	744.18	K	Relay (... Calculated Property
Tfus	294.83	K	Relay (... Calculated Property
Vc	0.809	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.17; 705.33]	J/mol×K	[699.15; 881.01]
Cp,gas	626.17	J/mol×K	699.15	Joback Calculated Property
Cp,gas	641.27	J/mol×K	729.46	Joback Calculated Property
Cp,gas	655.61	J/mol×K	759.77	Joback Calculated Property
Cp,gas	669.18	J/mol×K	790.08	Joback Calculated Property
Cp,gas	681.98	J/mol×K	820.39	Joback Calculated Property
Cp,gas	694.03	J/mol×K	850.70	Joback Calculated Property
Cp,gas	705.33	J/mol×K	881.01	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, N-methoxycarbonyl-, hexyl ester.

Sources

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

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