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

InChI

InChI=1S/C22H43NO4/c1-6-8-10-12-14-16-18-27-22(25)23(5)20(19(3)4)21(24)26-17-15-13-11-9-7-2/h19-20H,6-18H2,1-5H3

InChI Key

GOMCEWCKVJIQJN-UHFFFAOYSA-N

Formula

C22H43NO4

SMILES

CCCCCCCCOC(=O)N(C)C(C(=O)OCCCCCCC)C(C)C

Molecular Weight¹

385.58

• 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	1.0445		Relay (... Calculated Property
ΔfG°	-227.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1062.85	kJ/mol	Relay (... Calculated Property
ΔfusH°	54.28	kJ/mol	Joback Calculated Property
ΔvapH°	105.87	kJ/mol	Relay (... Calculated Property
IE	8.73	eV	Relay (... Calculated Property
log10WS	-5.35		Relay (... Calculated Property
logPoct/wat	5.954		Crippen Calculated Property
McVol	345.700	ml/mol	McGowan Calculated Property
Pc	962.08	kPa	Joback Calculated Property
Inp	[2422.00; 2422.00]
Inp	2422.00		NIST
Inp	2422.00		NIST
Tboil	616.43	K	Relay (... Calculated Property
Tc	808.06	K	Relay (... Calculated Property
Tfus	281.57	K	Relay (... Calculated Property
Vc	1.297	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1137.05; 1234.66]	J/mol×K	[866.90; 1061.39]
Cp,gas	1137.05	J/mol×K	866.90	Joback Calculated Property
Cp,gas	1156.38	J/mol×K	899.32	Joback Calculated Property
Cp,gas	1174.44	J/mol×K	931.73	Joback Calculated Property
Cp,gas	1191.26	J/mol×K	964.15	Joback Calculated Property
Cp,gas	1206.88	J/mol×K	996.56	Joback Calculated Property
Cp,gas	1221.34	J/mol×K	1028.98	Joback Calculated Property
Cp,gas	1234.66	J/mol×K	1061.39	Joback Calculated Property

Similar Compounds

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

Sources

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

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