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

InChI

InChI=1S/C20H35NO4/c1-6-8-10-11-12-13-14-16-24-19(22)18(17(3)4)21(5)20(23)25-15-9-7-2/h2,17-18H,6,8-16H2,1,3-5H3

InChI Key

KPKUMHHBWBRZMM-UHFFFAOYSA-N

Formula

C20H35NO4

SMILES

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

Molecular Weight¹

353.50

• 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°	-21.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-596.86	kJ/mol	Joback Calculated Property
ΔfusH°	52.08	kJ/mol	Joback Calculated Property
ΔvapH°	79.55	kJ/mol	Joback Calculated Property
log10WS	-5.13		Crippen Calculated Property
logPoct/wat	4.397		Crippen Calculated Property
McVol	308.920	ml/mol	McGowan Calculated Property
Pc	1202.29	kPa	Joback Calculated Property
Inp	[2238.00; 2238.00]
Inp	2238.00		NIST
Inp	2238.00		NIST
Tboil	811.26	K	Joback Calculated Property
Tc	999.75	K	Joback Calculated Property
Tfus	508.92	K	Joback Calculated Property
Vc	1.171	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[957.49; 1047.51]	J/mol×K	[811.26; 999.75]
Cp,gas	957.49	J/mol×K	811.26	Joback Calculated Property
Cp,gas	975.02	J/mol×K	842.68	Joback Calculated Property
Cp,gas	991.50	J/mol×K	874.09	Joback Calculated Property
Cp,gas	1006.96	J/mol×K	905.51	Joback Calculated Property
Cp,gas	1021.43	J/mol×K	936.92	Joback Calculated Property
Cp,gas	1034.94	J/mol×K	968.34	Joback Calculated Property
Cp,gas	1047.51	J/mol×K	999.75	Joback Calculated Property

Similar Compounds

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

Sources

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

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