Chemical Properties of DL-Valine, N-methyl-N-(vinyloxycarbonyl)-, dodecyl ester

InChI

InChI=1S/C21H39NO4/c1-6-8-9-10-11-12-13-14-15-16-17-26-20(23)19(18(3)4)22(5)21(24)25-7-2/h7,18-19H,2,6,8-17H2,1,3-5H3

InChI Key

WGDKZYPYFSBECB-UHFFFAOYSA-N

Formula

C21H39NO4

SMILES

C=COC(=O)N(C)C(C(=O)OCCCCCCCCCCCC)C(C)C

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	1.0244		Relay (... Calculated Property
ΔfG°	-148.16	kJ/mol	Joback Calculated Property
ΔfH°gas	-930.71	kJ/mol	Relay (... Calculated Property
ΔfusH°	50.41	kJ/mol	Joback Calculated Property
ΔvapH°	106.42	kJ/mol	Relay (... Calculated Property
IE	8.77	eV	Relay (... Calculated Property
log10WS	-5.25		Relay (... Calculated Property
logPoct/wat	5.687		Crippen Calculated Property
McVol	327.310	ml/mol	McGowan Calculated Property
Pc	1050.05	kPa	Joback Calculated Property
Inp	[2347.00; 2347.00]
Inp	2347.00		NIST
Inp	2347.00		NIST
Tboil	617.17	K	Relay (... Calculated Property
Tc	792.70	K	Relay (... Calculated Property
Tfus	281.22	K	Relay (... Calculated Property
Vc	1.201	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1047.23; 1140.96]	J/mol×K	[840.70; 1030.77]
Cp,gas	1047.23	J/mol×K	840.70	Joback Calculated Property
Cp,gas	1065.61	J/mol×K	872.38	Joback Calculated Property
Cp,gas	1082.84	J/mol×K	904.06	Joback Calculated Property
Cp,gas	1098.96	J/mol×K	935.74	Joback Calculated Property
Cp,gas	1114.00	J/mol×K	967.41	Joback Calculated Property
Cp,gas	1127.99	J/mol×K	999.09	Joback Calculated Property
Cp,gas	1140.96	J/mol×K	1030.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(vinyloxycarbonyl)-, dodecyl ester.

Sources

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

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