Chemical Properties of DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, hexyl ester

InChI

InChI=1S/C15H27NO4/c1-5-7-9-10-12-19-14(17)13(3)16(4)15(18)20-11-8-6-2/h6,13H,2,5,7-12H2,1,3-4H3

InChI Key

MHXPKSIBZROERZ-UHFFFAOYSA-N

Formula

C15H27NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCC

Molecular Weight¹

285.38

• 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	0.7843		Relay (1.0) Calculated Property
ΔfG°	-196.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-831.07	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.40	kJ/mol	Joback Calculated Property
ΔvapH°	82.90	kJ/mol	Relay (1.0) Calculated Property
IE	8.91	eV	Relay (1.0) Calculated Property
log10WS	-2.82		Relay (1.0) Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	242.770	ml/mol	McGowan Calculated Property
Pc	1577.21	kPa	Joback Calculated Property
Inp	[1840.00; 1840.00]
Inp	1840.00		NIST
Inp	1840.00		NIST
Tboil	588.60	K	Relay (1.0) Calculated Property
Tc	753.34	K	Relay (1.0) Calculated Property
Tfus	248.63	K	Relay (1.0) Calculated Property
Vc	0.885	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[694.30; 778.35]	J/mol×K	[703.86; 883.16]
Cp,gas	694.30	J/mol×K	703.86	Joback Calculated Property
Cp,gas	710.33	J/mol×K	733.74	Joback Calculated Property
Cp,gas	725.54	J/mol×K	763.63	Joback Calculated Property
Cp,gas	739.92	J/mol×K	793.51	Joback Calculated Property
Cp,gas	753.51	J/mol×K	823.39	Joback Calculated Property
Cp,gas	766.31	J/mol×K	853.27	Joback Calculated Property
Cp,gas	778.35	J/mol×K	883.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(byt-4-en-1-yloxycarbonyl)-, hexyl ester.

Sources

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

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