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

InChI

InChI=1S/C19H37NO4/c1-7-8-9-10-11-12-13-23-19(22)20(6)17(16(4)5)18(21)24-14-15(2)3/h15-17H,7-14H2,1-6H3

InChI Key

JBYAJVOYFQKYEW-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCCCOC(=O)N(C)C(C(=O)OCC(C)C)C(C)C

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	0.9100		Relay (... Calculated Property
ΔfG°	-255.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-1018.13	kJ/mol	Relay (... Calculated Property
ΔfusH°	42.99	kJ/mol	Joback Calculated Property
ΔvapH°	91.92	kJ/mol	Relay (... Calculated Property
IE	8.75	eV	Relay (... Calculated Property
log10WS	-4.44		Relay (... Calculated Property
logPoct/wat	4.639		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1166.43	kPa	Joback Calculated Property
Inp	[2107.00; 2107.00]
Inp	2107.00		NIST
Inp	2107.00		NIST
Tboil	595.04	K	Relay (... Calculated Property
Tc	775.96	K	Relay (... Calculated Property
Tfus	269.35	K	Relay (... Calculated Property
Vc	1.131	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[953.34; 1047.35]	J/mol×K	[797.82; 982.82]
Cp,gas	953.34	J/mol×K	797.82	Joback Calculated Property
Cp,gas	971.63	J/mol×K	828.65	Joback Calculated Property
Cp,gas	988.84	J/mol×K	859.49	Joback Calculated Property
Cp,gas	1005.00	J/mol×K	890.32	Joback Calculated Property
Cp,gas	1020.12	J/mol×K	921.15	Joback Calculated Property
Cp,gas	1034.23	J/mol×K	951.99	Joback Calculated Property
Cp,gas	1047.35	J/mol×K	982.82	Joback Calculated Property

Similar Compounds

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

Sources

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

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