Chemical Properties of DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester

InChI

InChI=1S/C17H32ClNO4/c1-4-5-6-7-8-9-10-13-22-16(20)15(2)19(3)17(21)23-14-11-12-18/h15H,4-14H2,1-3H3

InChI Key

QQHCVZHBRUVFAB-UHFFFAOYSA-N

Formula

C17H32ClNO4

SMILES

CCCCCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

349.89

• 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°	-279.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-837.30	kJ/mol	Joback Calculated Property
ΔfusH°	49.05	kJ/mol	Joback Calculated Property
ΔvapH°	77.79	kJ/mol	Joback Calculated Property
log10WS	-4.48		Crippen Calculated Property
logPoct/wat	4.366		Crippen Calculated Property
McVol	287.490	ml/mol	McGowan Calculated Property
Pc	1285.59	kPa	Joback Calculated Property
Inp	[2276.00; 2276.00]
Inp	2276.00		NIST
Inp	2276.00		NIST
Tboil	790.37	K	Joback Calculated Property
Tc	975.07	K	Joback Calculated Property
Tfus	473.06	K	Joback Calculated Property
Vc	1.097	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[865.07; 949.36]	J/mol×K	[790.37; 975.07]
Cp,gas	865.07	J/mol×K	790.37	Joback Calculated Property
Cp,gas	881.46	J/mol×K	821.15	Joback Calculated Property
Cp,gas	896.89	J/mol×K	851.94	Joback Calculated Property
Cp,gas	911.38	J/mol×K	882.72	Joback Calculated Property
Cp,gas	924.94	J/mol×K	913.50	Joback Calculated Property
Cp,gas	937.59	J/mol×K	944.28	Joback Calculated Property
Cp,gas	949.36	J/mol×K	975.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Alanine, N-methyl-N-(3-chloropropoxycarbonyl)-, nonyl ester.

Sources

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

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