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

InChI

InChI=1S/C25H45NO4/c1-6-8-10-11-12-13-14-15-16-17-18-19-21-29-24(27)23(22(3)4)26(5)25(28)30-20-9-7-2/h2,22-23H,6,8-21H2,1,3-5H3

InChI Key

DFRNCLKESUPNPZ-UHFFFAOYSA-N

Formula

C25H45NO4

SMILES

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

Molecular Weight¹

423.63

• 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°	20.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-700.06	kJ/mol	Joback Calculated Property
ΔfusH°	65.03	kJ/mol	Joback Calculated Property
ΔvapH°	90.68	kJ/mol	Joback Calculated Property
log10WS	-7.23		Crippen Calculated Property
logPoct/wat	6.347		Crippen Calculated Property
McVol	379.370	ml/mol	McGowan Calculated Property
Pc	883.67	kPa	Joback Calculated Property
Inp	[2750.00; 2750.00]
Inp	2750.00		NIST
Inp	2750.00		NIST
Tboil	925.66	K	Joback Calculated Property
Tc	1133.90	K	Joback Calculated Property
Tfus	565.27	K	Joback Calculated Property
Vc	1.452	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1265.63; 1362.48]	J/mol×K	[925.66; 1133.90]
Cp,gas	1265.63	J/mol×K	925.66	Joback Calculated Property
Cp,gas	1285.07	J/mol×K	960.37	Joback Calculated Property
Cp,gas	1303.11	J/mol×K	995.07	Joback Calculated Property
Cp,gas	1319.82	J/mol×K	1029.78	Joback Calculated Property
Cp,gas	1335.25	J/mol×K	1064.49	Joback Calculated Property
Cp,gas	1349.45	J/mol×K	1099.20	Joback Calculated Property
Cp,gas	1362.48	J/mol×K	1133.90	Joback Calculated Property

Similar Compounds

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

Sources

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

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