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

InChI

InChI=1S/C24H45NO4/c1-6-8-10-11-12-13-14-15-16-17-18-20-28-23(26)22(21(3)4)25(5)24(27)29-19-9-7-2/h7,21-22H,2,6,8-20H2,1,3-5H3

InChI Key

POINDAUGJXAJJM-UHFFFAOYSA-N

Formula

C24H45NO4

SMILES

C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCCCCCC)C(C)C

Molecular Weight¹

411.62

• 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°	-122.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-845.89	kJ/mol	Joback Calculated Property
ΔfusH°	58.18	kJ/mol	Joback Calculated Property
ΔvapH°	87.93	kJ/mol	Joback Calculated Property
log10WS	-6.87		Crippen Calculated Property
logPoct/wat	6.510		Crippen Calculated Property
McVol	369.580	ml/mol	McGowan Calculated Property
Pc	878.44	kPa	Joback Calculated Property
Inp	[2663.00; 2663.00]
Inp	2663.00		NIST
Inp	2663.00		NIST
Tboil	909.34	K	Joback Calculated Property
Tc	1113.95	K	Joback Calculated Property
Tfus	505.27	K	Joback Calculated Property
Vc	1.415	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1233.93; 1331.98]	J/mol×K	[909.34; 1113.95]
Cp,gas	1233.93	J/mol×K	909.34	Joback Calculated Property
Cp,gas	1253.59	J/mol×K	943.44	Joback Calculated Property
Cp,gas	1271.85	J/mol×K	977.54	Joback Calculated Property
Cp,gas	1288.78	J/mol×K	1011.64	Joback Calculated Property
Cp,gas	1304.41	J/mol×K	1045.74	Joback Calculated Property
Cp,gas	1318.79	J/mol×K	1079.85	Joback Calculated Property
Cp,gas	1331.98	J/mol×K	1113.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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