Chemical Properties of DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, propyl ester

InChI

InChI=1S/C12H19NO4/c1-5-7-9-17-12(15)13(4)10(3)11(14)16-8-6-2/h10H,6,8-9H2,1-4H3

InChI Key

AMSJCALWSRWSFA-UHFFFAOYSA-N

Formula

C12H19NO4

SMILES

CC#CCOC(=O)N(C)C(C)C(=O)OCCC

Molecular Weight¹

241.28

• 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	0.6045		Relay (1.0) Calculated Property
ΔfG°	-106.54	kJ/mol	Joback Calculated Property
ΔfH°gas	-593.68	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	35.03	kJ/mol	Joback Calculated Property
ΔvapH°	76.93	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-1.75		Relay (1.0) Calculated Property
logPoct/wat	1.420		Crippen Calculated Property
McVol	196.200	ml/mol	McGowan Calculated Property
Pc	2241.88	kPa	Joback Calculated Property
Inp	[1657.00; 1657.00]
Inp	1657.00		NIST
Inp	1657.00		NIST
Tboil	539.59	K	Relay (1.0) Calculated Property
Tc	728.30	K	Relay (1.0) Calculated Property
Tfus	298.08	K	Relay (1.0) Calculated Property
Vc	0.701	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[513.01; 589.24]	J/mol×K	[647.54; 843.92]
Cp,gas	513.01	J/mol×K	647.54	Joback Calculated Property
Cp,gas	527.59	J/mol×K	680.27	Joback Calculated Property
Cp,gas	541.41	J/mol×K	713.00	Joback Calculated Property
Cp,gas	554.49	J/mol×K	745.73	Joback Calculated Property
Cp,gas	566.81	J/mol×K	778.46	Joback Calculated Property
Cp,gas	578.39	J/mol×K	811.19	Joback Calculated Property
Cp,gas	589.24	J/mol×K	843.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-2-yn-1-yloxycarbonyl)-, propyl ester.

Sources

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

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