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

InChI

InChI=1S/C21H39NO4/c1-5-7-9-10-11-12-13-14-15-16-18-25-20(23)19(3)22(4)21(24)26-17-8-6-2/h6,19H,2,5,7-18H2,1,3-4H3

InChI Key

LVRUYSBHTNCPOE-UHFFFAOYSA-N

Formula

C21H39NO4

SMILES

C=CCCOC(=O)N(C)C(C)C(=O)OCCCCCCCCCCCC

Molecular Weight¹

369.54

• 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	1.0048		Relay (1.0) Calculated Property
ΔfG°	-145.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-955.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.94	kJ/mol	Joback Calculated Property
ΔvapH°	105.89	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	5.484		Crippen Calculated Property
McVol	327.310	ml/mol	McGowan Calculated Property
Pc	1044.62	kPa	Joback Calculated Property
Inp	[2394.00; 2394.00]
Inp	2394.00		NIST
Inp	2394.00		NIST
Tboil	637.76	K	Relay (1.0) Calculated Property
Tc	809.72	K	Relay (1.0) Calculated Property
Tfus	278.88	K	Relay (1.0) Calculated Property
Vc	1.215	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1046.76; 1140.47]	J/mol×K	[841.14; 1030.74]
Cp,gas	1046.76	J/mol×K	841.14	Joback Calculated Property
Cp,gas	1065.10	J/mol×K	872.74	Joback Calculated Property
Cp,gas	1082.30	J/mol×K	904.34	Joback Calculated Property
Cp,gas	1098.41	J/mol×K	935.94	Joback Calculated Property
Cp,gas	1113.46	J/mol×K	967.54	Joback Calculated Property
Cp,gas	1127.47	J/mol×K	999.14	Joback Calculated Property
Cp,gas	1140.47	J/mol×K	1030.74	Joback Calculated Property

Similar Compounds

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

Sources

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

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