Chemical Properties of L-2,3-Diaminopropionic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI

InChI=1S/C14H26N2O6/c1-6-20-13(18)15-8-11(16-14(19)21-7-2)12(17)22-10(5)9(3)4/h9-11H,6-8H2,1-5H3,(H,15,18)(H,16,19)/t10-,11?/m1/s1

InChI Key

ZLFYCFGTMSWVQQ-NFJWQWPMSA-N

Formula

C14H26N2O6

SMILES

CCOC(=O)NCC(NC(=O)OCC)C(=O)OC(C)C(C)C

Molecular Weight¹

318.37

• 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	0.8615		Relay (1.0) Calculated Property
ΔfG°	-463.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1295.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.01	kJ/mol	Joback Calculated Property
ΔvapH°	100.09	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-2.36		Relay (1.0) Calculated Property
logPoct/wat	1.435		Crippen Calculated Property
McVol	250.400	ml/mol	McGowan Calculated Property
Pc	1774.35	kPa	Joback Calculated Property
Inp	[2029.50; 2029.50]
Inp	2029.50		NIST
Inp	2029.50		NIST
Tboil	583.29	K	Relay (1.0) Calculated Property
Tc	788.23	K	Relay (1.0) Calculated Property
Tfus	323.76	K	Relay (1.0) Calculated Property
Vc	0.910	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[786.80; 850.99]	J/mol×K	[847.61; 1046.47]
Cp,gas	786.80	J/mol×K	847.61	Joback Calculated Property
Cp,gas	800.25	J/mol×K	880.75	Joback Calculated Property
Cp,gas	812.61	J/mol×K	913.90	Joback Calculated Property
Cp,gas	823.86	J/mol×K	947.04	Joback Calculated Property
Cp,gas	834.01	J/mol×K	980.19	Joback Calculated Property
Cp,gas	843.06	J/mol×K	1013.33	Joback Calculated Property
Cp,gas	850.99	J/mol×K	1046.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-2,3-Diaminopropionic acid, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

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

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