Chemical Properties of DL-Valine, N-methyl-N-octyloxycarbonyl-, pentyl ester

InChI

InChI=1S/C20H39NO4/c1-6-8-10-11-12-14-16-25-20(23)21(5)18(17(3)4)19(22)24-15-13-9-7-2/h17-18H,6-16H2,1-5H3

InChI Key

YURDBXKQVXICCX-UHFFFAOYSA-N

Formula

C20H39NO4

SMILES

CCCCCCCCOC(=O)N(C)C(C(=O)OCCCCC)C(C)C

Molecular Weight¹

357.53

• 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°	-244.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-888.76	kJ/mol	Joback Calculated Property
ΔfusH°	49.10	kJ/mol	Joback Calculated Property
ΔvapH°	79.69	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	5.173		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1087.78	kPa	Joback Calculated Property
Inp	[2229.00; 2229.00]
Inp	2229.00		NIST
Inp	2229.00		NIST
Tboil	821.14	K	Joback Calculated Property
Tc	1007.78	K	Joback Calculated Property
Tfus	461.95	K	Joback Calculated Property
Vc	1.210	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.53; 1108.50]	J/mol×K	[821.14; 1007.78]
Cp,gas	1013.53	J/mol×K	821.14	Joback Calculated Property
Cp,gas	1032.07	J/mol×K	852.25	Joback Calculated Property
Cp,gas	1049.49	J/mol×K	883.35	Joback Calculated Property
Cp,gas	1065.82	J/mol×K	914.46	Joback Calculated Property
Cp,gas	1081.08	J/mol×K	945.57	Joback Calculated Property
Cp,gas	1095.30	J/mol×K	976.68	Joback Calculated Property
Cp,gas	1108.50	J/mol×K	1007.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-octyloxycarbonyl-, pentyl ester.

Sources

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

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