Chemical Properties of D-Alanine, N-neopentyloxycarbonyl-, decyl ester

InChI

InChI=1S/C19H37NO4/c1-6-7-8-9-10-11-12-13-14-23-17(21)16(2)20-18(22)24-15-19(3,4)5/h16H,6-15H2,1-5H3,(H,20,22)

InChI Key

XHJBKIPBZAGJJC-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCCCCCOC(=O)C(C)NC(=O)OCC(C)(C)C

Molecular Weight¹

343.50

• 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).
• 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
ΔfG°	-268.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-885.65	kJ/mol	Joback Calculated Property
ΔfusH°	44.70	kJ/mol	Joback Calculated Property
ΔvapH°	80.95	kJ/mol	Joback Calculated Property
log10WS	-5.54		Crippen Calculated Property
logPoct/wat	4.831		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1180.90	kPa	Joback Calculated Property
Inp	[2212.00; 2212.00]
Inp	2212.00		NIST
Inp	2212.00		NIST
Tboil	833.20	K	Joback Calculated Property
Tc	1024.71	K	Joback Calculated Property
Tfus	488.29	K	Joback Calculated Property
Vc	1.165	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[974.04; 1062.94]	J/mol×K	[833.20; 1024.71]
Cp,gas	974.04	J/mol×K	833.20	Joback Calculated Property
Cp,gas	991.47	J/mol×K	865.12	Joback Calculated Property
Cp,gas	1007.82	J/mol×K	897.04	Joback Calculated Property
Cp,gas	1023.10	J/mol×K	928.95	Joback Calculated Property
Cp,gas	1037.36	J/mol×K	960.87	Joback Calculated Property
Cp,gas	1050.63	J/mol×K	992.79	Joback Calculated Property
Cp,gas	1062.94	J/mol×K	1024.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to D-Alanine, N-neopentyloxycarbonyl-, decyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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