Chemical Properties of L-Norvaline, N-(but-3-en-1-yloxycarbonyl)-, hexyl ester

InChI

InChI=1S/C16H29NO4/c1-4-7-9-10-13-20-15(18)14(11-6-3)17-16(19)21-12-8-5-2/h5,14H,2,4,6-13H2,1,3H3,(H,17,19)/t14-/m1/s1

InChI Key

QQTYJJSSHVXGGB-CQSZACIVSA-N

Formula

C16H29NO4

SMILES

C=CCCOC(=O)NC(CCC)C(=O)OCCCCCC

Molecular Weight¹

299.41

• 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	0.8638		Relay (1.0) Calculated Property
ΔfG°	-209.21	kJ/mol	Joback Calculated Property
ΔfH°gas	-891.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	43.07	kJ/mol	Joback Calculated Property
ΔvapH°	89.55	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-3.83		Relay (1.0) Calculated Property
logPoct/wat	3.581		Crippen Calculated Property
McVol	256.860	ml/mol	McGowan Calculated Property
Pc	1480.43	kPa	Joback Calculated Property
Inp	[1986.00; 1986.00]
Inp	1986.00		NIST
Inp	1986.00		NIST
Tboil	599.68	K	Relay (1.0) Calculated Property
Tc	778.78	K	Relay (1.0) Calculated Property
Tfus	266.65	K	Relay (1.0) Calculated Property
Vc	0.926	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.58; 851.34]	J/mol×K	[764.47; 948.61]
Cp,gas	769.58	J/mol×K	764.47	Joback Calculated Property
Cp,gas	785.39	J/mol×K	795.16	Joback Calculated Property
Cp,gas	800.31	J/mol×K	825.85	Joback Calculated Property
Cp,gas	814.35	J/mol×K	856.54	Joback Calculated Property
Cp,gas	827.53	J/mol×K	887.23	Joback Calculated Property
Cp,gas	839.85	J/mol×K	917.92	Joback Calculated Property
Cp,gas	851.34	J/mol×K	948.61	Joback Calculated Property

Similar Compounds

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

Sources

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

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