Chemical Properties of DL-Alanine, N-methyl-N-hexyloxycarbonyl-, nonyl ester

InChI

InChI=1S/C20H39NO4/c1-5-7-9-11-12-13-15-16-24-19(22)18(3)21(4)20(23)25-17-14-10-8-6-2/h18H,5-17H2,1-4H3

InChI Key

BANIQTOVCTWIFD-UHFFFAOYSA-N

Formula

C20H39NO4

SMILES

CCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCCC

Molecular Weight¹

357.53

• 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	1.0164		Relay (1.0) Calculated Property
ΔfG°	-241.98	kJ/mol	Joback Calculated Property
ΔfH°gas	-1037.15	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	52.63	kJ/mol	Joback Calculated Property
ΔvapH°	102.77	kJ/mol	Relay (1.0) Calculated Property
IE	8.83	eV	Relay (1.0) Calculated Property
log10WS	-4.86		Relay (1.0) Calculated Property
logPoct/wat	5.317		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1082.06	kPa	Joback Calculated Property
Inp	[2314.00; 2314.00]
Inp	2314.00		NIST
Inp	2314.00		NIST
Tboil	607.24	K	Relay (1.0) Calculated Property
Tc	797.34	K	Relay (1.0) Calculated Property
Tfus	282.85	K	Relay (1.0) Calculated Property
Vc	1.213	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1013.06; 1107.89]	J/mol×K	[821.58; 1007.58]
Cp,gas	1013.06	J/mol×K	821.58	Joback Calculated Property
Cp,gas	1031.54	J/mol×K	852.58	Joback Calculated Property
Cp,gas	1048.91	J/mol×K	883.58	Joback Calculated Property
Cp,gas	1065.21	J/mol×K	914.58	Joback Calculated Property
Cp,gas	1080.46	J/mol×K	945.58	Joback Calculated Property
Cp,gas	1094.68	J/mol×K	976.58	Joback Calculated Property
Cp,gas	1107.89	J/mol×K	1007.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-hexyloxycarbonyl-, nonyl ester.

Sources

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

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