Chemical Properties of l-Norvaline, N-allyloxycarbonyl-, pentadecyl ester

InChI

InChI=1S/C24H45NO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-21-28-23(26)22(19-5-2)25-24(27)29-20-6-3/h6,22H,3-5,7-21H2,1-2H3,(H,25,27)

InChI Key

UAVMTDBRHBFVKE-UHFFFAOYSA-N

Formula

C24H45NO4

SMILES

C=CCOC(=O)NC(CCC)C(=O)OCCCCCCCCCCCCCCC

Molecular Weight¹

411.62

• 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	1.1582		Relay (1.0) Calculated Property
ΔfG°	-141.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1043.19	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.79	kJ/mol	Joback Calculated Property
ΔvapH°	121.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-6.59		Relay (1.0) Calculated Property
logPoct/wat	6.702		Crippen Calculated Property
McVol	369.580	ml/mol	McGowan Calculated Property
Pc	882.09	kPa	Joback Calculated Property
Inp	[2498.00; 2498.00]
Inp	2498.00		NIST
Inp	2498.00		NIST
Tboil	656.75	K	Relay (1.0) Calculated Property
Tc	847.51	K	Relay (1.0) Calculated Property
Tfus	312.23	K	Relay (1.0) Calculated Property
Vc	1.365	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1254.05; 1347.14]	J/mol×K	[947.51; 1163.12]
Cp,gas	1254.05	J/mol×K	947.51	Joback Calculated Property
Cp,gas	1273.17	J/mol×K	983.45	Joback Calculated Property
Cp,gas	1290.78	J/mol×K	1019.38	Joback Calculated Property
Cp,gas	1306.94	J/mol×K	1055.32	Joback Calculated Property
Cp,gas	1321.68	J/mol×K	1091.25	Joback Calculated Property
Cp,gas	1335.07	J/mol×K	1127.19	Joback Calculated Property
Cp,gas	1347.14	J/mol×K	1163.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, N-allyloxycarbonyl-, pentadecyl ester.

Sources

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

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