Chemical Properties of DL-Valine, N-methyl-N-hexyloxycarbonyl-, hexyl ester

InChI

InChI=1S/C19H37NO4/c1-6-8-10-12-14-23-18(21)17(16(3)4)20(5)19(22)24-15-13-11-9-7-2/h16-17H,6-15H2,1-5H3

InChI Key

ILVJRONHDZXNTD-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCCC

Molecular Weight¹

343.50

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9375		Relay (... Calculated Property
ΔfG°	-252.84	kJ/mol	Joback Calculated Property
ΔfH°gas	-1004.14	kJ/mol	Relay (... Calculated Property
ΔfusH°	46.52	kJ/mol	Joback Calculated Property
ΔvapH°	95.37	kJ/mol	Relay (... Calculated Property
IE	8.65	eV	Relay (... Calculated Property
log10WS	-4.37		Relay (... Calculated Property
logPoct/wat	4.783		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1160.08	kPa	Joback Calculated Property
Inp	[2138.00; 2138.00]
Inp	2138.00		NIST
Inp	2138.00		NIST
Tboil	594.00	K	Relay (... Calculated Property
Tc	782.35	K	Relay (... Calculated Property
Tfus	268.27	K	Relay (... Calculated Property
Vc	1.132	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[952.86; 1046.51]	J/mol×K	[798.26; 982.17]
Cp,gas	952.86	J/mol×K	798.26	Joback Calculated Property
Cp,gas	971.04	J/mol×K	828.91	Joback Calculated Property
Cp,gas	988.16	J/mol×K	859.56	Joback Calculated Property
Cp,gas	1004.24	J/mol×K	890.22	Joback Calculated Property
Cp,gas	1019.32	J/mol×K	920.87	Joback Calculated Property
Cp,gas	1033.40	J/mol×K	951.52	Joback Calculated Property
Cp,gas	1046.51	J/mol×K	982.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-hexyloxycarbonyl-, hexyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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