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

InChI

InChI=1S/C19H33NO4/c1-6-8-10-11-12-13-15-23-18(21)17(16(3)4)20(5)19(22)24-14-9-7-2/h2,16-17H,6,8-15H2,1,3-5H3

InChI Key

NIGAWKNZTLJVER-UHFFFAOYSA-N

Formula

C19H33NO4

SMILES

C#CCCOC(=O)N(C)C(C(=O)OCCCCCCCC)C(C)C

Molecular Weight¹

339.47

• 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°	-29.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-576.22	kJ/mol	Joback Calculated Property
ΔfusH°	49.49	kJ/mol	Joback Calculated Property
ΔvapH°	77.33	kJ/mol	Joback Calculated Property
log10WS	-4.71		Crippen Calculated Property
logPoct/wat	4.006		Crippen Calculated Property
McVol	294.830	ml/mol	McGowan Calculated Property
Pc	1286.51	kPa	Joback Calculated Property
Inp	[2143.00; 2143.00]
Inp	2143.00		NIST
Inp	2143.00		NIST
Tboil	788.38	K	Joback Calculated Property
Tc	975.30	K	Joback Calculated Property
Tfus	497.65	K	Joback Calculated Property
Vc	1.115	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[898.04; 986.77]	J/mol×K	[788.38; 975.30]
Cp,gas	898.04	J/mol×K	788.38	Joback Calculated Property
Cp,gas	915.25	J/mol×K	819.53	Joback Calculated Property
Cp,gas	931.46	J/mol×K	850.69	Joback Calculated Property
Cp,gas	946.68	J/mol×K	881.84	Joback Calculated Property
Cp,gas	960.96	J/mol×K	913.00	Joback Calculated Property
Cp,gas	974.31	J/mol×K	944.15	Joback Calculated Property
Cp,gas	986.77	J/mol×K	975.30	Joback Calculated Property

Similar Compounds

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

Sources

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

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