Chemical Properties of DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester

InChI

InChI=1S/C15H25NO4/c1-6-8-10-19-14(17)13(12(3)4)16(5)15(18)20-11-9-7-2/h6-7,12-13H,1-2,8-11H2,3-5H3

InChI Key

AYHDDZISXLTWAD-UHFFFAOYSA-N

Formula

C15H25NO4

SMILES

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

Molecular Weight¹

283.36

• 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	0.6981		Relay (... Calculated Property
ΔfG°	-110.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-737.91	kJ/mol	Relay (... Calculated Property
ΔfusH°	33.59	kJ/mol	Joback Calculated Property
ΔvapH°	82.62	kJ/mol	Relay (... Calculated Property
IE	8.78	eV	Relay (... Calculated Property
log10WS	-2.40		Relay (... Calculated Property
logPoct/wat	2.775		Crippen Calculated Property
McVol	238.470	ml/mol	McGowan Calculated Property
Pc	1641.76	kPa	Joback Calculated Property
Inp	[1782.00; 1782.00]
Inp	1782.00		NIST
Inp	1782.00		NIST
Tboil	580.93	K	Relay (... Calculated Property
Tc	749.58	K	Relay (... Calculated Property
Tfus	255.21	K	Relay (... Calculated Property
Vc	0.824	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[670.69; 752.72]	J/mol×K	[700.10; 883.75]
Cp,gas	670.69	J/mol×K	700.10	Joback Calculated Property
Cp,gas	686.43	J/mol×K	730.71	Joback Calculated Property
Cp,gas	701.31	J/mol×K	761.32	Joback Calculated Property
Cp,gas	715.37	J/mol×K	791.93	Joback Calculated Property
Cp,gas	728.61	J/mol×K	822.54	Joback Calculated Property
Cp,gas	741.05	J/mol×K	853.15	Joback Calculated Property
Cp,gas	752.72	J/mol×K	883.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, but-3-en-1-yl ester.

Sources

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

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