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

InChI

InChI=1S/C23H43NO4/c1-6-8-10-11-12-13-14-15-16-17-19-27-22(25)21(20(3)4)24(5)23(26)28-18-9-7-2/h7,20-21H,2,6,8-19H2,1,3-5H3

InChI Key

UPJWVXVPECTFJC-UHFFFAOYSA-N

Formula

C23H43NO4

SMILES

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

Molecular Weight¹

397.59

• 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°	-131.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-825.25	kJ/mol	Joback Calculated Property
ΔfusH°	55.60	kJ/mol	Joback Calculated Property
ΔvapH°	85.70	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	6.120		Crippen Calculated Property
McVol	355.490	ml/mol	McGowan Calculated Property
Pc	930.64	kPa	Joback Calculated Property
Inp	[2560.00; 2560.00]
Inp	2560.00		NIST
Inp	2560.00		NIST
Tboil	886.46	K	Joback Calculated Property
Tc	1085.29	K	Joback Calculated Property
Tfus	494.00	K	Joback Calculated Property
Vc	1.359	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1171.10; 1267.65]	J/mol×K	[886.46; 1085.29]
Cp,gas	1171.10	J/mol×K	886.46	Joback Calculated Property
Cp,gas	1190.29	J/mol×K	919.60	Joback Calculated Property
Cp,gas	1208.19	J/mol×K	952.74	Joback Calculated Property
Cp,gas	1224.83	J/mol×K	985.87	Joback Calculated Property
Cp,gas	1240.26	J/mol×K	1019.01	Joback Calculated Property
Cp,gas	1254.52	J/mol×K	1052.15	Joback Calculated Property
Cp,gas	1267.65	J/mol×K	1085.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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