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

InChI

InChI=1S/C17H29NO4/c1-4-6-7-8-9-10-11-12-14-21-16(19)15(3)18-17(20)22-13-5-2/h2,15H,4,6-14H2,1,3H3,(H,18,20)

InChI Key

XLFRZGAAUMANDM-UHFFFAOYSA-N

Formula

C17H29NO4

SMILES

C#CCOC(=O)NC(C)C(=O)OCCCCCCCCCC

Molecular Weight¹

311.42

• 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°	-65.56	kJ/mol	Joback Calculated Property
ΔfH°gas	-543.72	kJ/mol	Joback Calculated Property
ΔfusH°	49.91	kJ/mol	Joback Calculated Property
ΔvapH°	77.65	kJ/mol	Joback Calculated Property
log10WS	-4.74		Crippen Calculated Property
logPoct/wat	3.418		Crippen Calculated Property
McVol	266.650	ml/mol	McGowan Calculated Property
Pc	1491.89	kPa	Joback Calculated Property
Inp	[2149.00; 2149.00]
Inp	2149.00		NIST
Inp	2149.00		NIST
Tboil	780.79	K	Joback Calculated Property
Tc	969.01	K	Joback Calculated Property
Tfus	510.30	K	Joback Calculated Property
Vc	1.026	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[799.85; 880.80]	J/mol×K	[780.79; 969.01]
Cp,gas	799.85	J/mol×K	780.79	Joback Calculated Property
Cp,gas	815.57	J/mol×K	812.16	Joback Calculated Property
Cp,gas	830.38	J/mol×K	843.53	Joback Calculated Property
Cp,gas	844.29	J/mol×K	874.90	Joback Calculated Property
Cp,gas	857.32	J/mol×K	906.27	Joback Calculated Property
Cp,gas	869.49	J/mol×K	937.64	Joback Calculated Property
Cp,gas	880.80	J/mol×K	969.01	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.