Chemical Properties of DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, byt-3-yn-1-yl ester

InChI

InChI=1S/C13H17NO4/c1-5-7-9-17-12(15)11(3)14(4)13(16)18-10-8-6-2/h1-2,11H,7-10H2,3-4H3

InChI Key

AWJWXPXAWCNVRX-UHFFFAOYSA-N

Formula

C13H17NO4

SMILES

C#CCCOC(=O)C(C)N(C)C(=O)OCCC#C

Molecular Weight¹

251.28

• 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	0.6124		Relay (1.0) Calculated Property
ΔfG°	145.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-431.55	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	40.45	kJ/mol	Joback Calculated Property
ΔvapH°	87.19	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-1.61		Relay (1.0) Calculated Property
logPoct/wat	1.033		Crippen Calculated Property
McVol	201.690	ml/mol	McGowan Calculated Property
Pc	2329.27	kPa	Joback Calculated Property
Inp	[1684.00; 1684.00]
Inp	1684.00		NIST
Inp	1684.00		NIST
Tboil	571.34	K	Relay (1.0) Calculated Property
Tc	756.03	K	Relay (1.0) Calculated Property
Tfus	318.67	K	Relay (1.0) Calculated Property
Vc	0.691	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[517.38; 588.03]	J/mol×K	[641.66; 838.17]
Cp,gas	517.38	J/mol×K	641.66	Joback Calculated Property
Cp,gas	530.97	J/mol×K	674.41	Joback Calculated Property
Cp,gas	543.81	J/mol×K	707.16	Joback Calculated Property
Cp,gas	555.92	J/mol×K	739.91	Joback Calculated Property
Cp,gas	567.31	J/mol×K	772.67	Joback Calculated Property
Cp,gas	578.01	J/mol×K	805.42	Joback Calculated Property
Cp,gas	588.03	J/mol×K	838.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-3-yn-1-yloxycarbonyl)-, byt-3-yn-1-yl ester.

Sources

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

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