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

InChI

InChI=1S/C18H33NO4/c1-5-7-9-10-11-12-13-15-22-17(20)16(3)19(4)18(21)23-14-8-6-2/h6,16H,2,5,7-15H2,1,3-4H3

InChI Key

MFRCOCCXGVQILP-UHFFFAOYSA-N

Formula

C18H33NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCC

Molecular Weight¹

327.46

• 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°	-170.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-716.77	kJ/mol	Joback Calculated Property
ΔfusH°	46.17	kJ/mol	Joback Calculated Property
ΔvapH°	74.96	kJ/mol	Joback Calculated Property
log10WS	-4.60		Crippen Calculated Property
logPoct/wat	4.313		Crippen Calculated Property
McVol	285.040	ml/mol	McGowan Calculated Property
Pc	1270.06	kPa	Joback Calculated Property
Inp	[2113.00; 2113.00]
Inp	2113.00		NIST
Inp	2113.00		NIST
Tboil	772.50	K	Joback Calculated Property
Tc	954.02	K	Joback Calculated Property
Tfus	452.65	K	Joback Calculated Property
Vc	1.085	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[866.39; 955.52]	J/mol×K	[772.50; 954.02]
Cp,gas	866.39	J/mol×K	772.50	Joback Calculated Property
Cp,gas	883.57	J/mol×K	802.75	Joback Calculated Property
Cp,gas	899.79	J/mol×K	833.01	Joback Calculated Property
Cp,gas	915.07	J/mol×K	863.26	Joback Calculated Property
Cp,gas	929.44	J/mol×K	893.51	Joback Calculated Property
Cp,gas	942.91	J/mol×K	923.76	Joback Calculated Property
Cp,gas	955.52	J/mol×K	954.02	Joback Calculated Property

Similar Compounds

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

Sources

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

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