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

InChI

InChI=1S/C17H29NO4/c1-4-7-9-10-11-14-21-16(19)15(12-6-3)18-17(20)22-13-8-5-2/h15H,4,6-7,9-14H2,1-3H3,(H,18,20)/t15-/m1/s1

InChI Key

ZIVBYWDOSCWFRS-OAHLLOKOSA-N

Formula

C17H29NO4

SMILES

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

Molecular Weight¹

311.42

• 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	0.8407		Relay (1.0) Calculated Property
ΔfG°	-85.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-734.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.06	kJ/mol	Joback Calculated Property
ΔvapH°	96.48	kJ/mol	Relay (1.0) Calculated Property
IE	8.76	eV	Relay (1.0) Calculated Property
log10WS	-4.48		Relay (1.0) Calculated Property
logPoct/wat	3.418		Crippen Calculated Property
McVol	266.650	ml/mol	McGowan Calculated Property
Pc	1505.81	kPa	Joback Calculated Property
Inp	[2199.00; 2199.00]
Inp	2199.00		NIST
Inp	2199.00		NIST
Tboil	585.11	K	Relay (1.0) Calculated Property
Tc	798.72	K	Relay (1.0) Calculated Property
Tfus	318.19	K	Relay (1.0) Calculated Property
Vc	0.956	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[804.68; 885.73]	J/mol×K	[799.67; 993.90]
Cp,gas	804.68	J/mol×K	799.67	Joback Calculated Property
Cp,gas	820.62	J/mol×K	832.04	Joback Calculated Property
Cp,gas	835.57	J/mol×K	864.41	Joback Calculated Property
Cp,gas	849.55	J/mol×K	896.79	Joback Calculated Property
Cp,gas	862.56	J/mol×K	929.16	Joback Calculated Property
Cp,gas	874.62	J/mol×K	961.53	Joback Calculated Property
Cp,gas	885.73	J/mol×K	993.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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