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

InChI

InChI=1S/C14H26ClNO4/c1-4-5-6-7-10-19-13(17)12(2)16(3)14(18)20-11-8-9-15/h12H,4-11H2,1-3H3

InChI Key

ALVHZDRXLQHAQG-UHFFFAOYSA-N

Formula

C14H26ClNO4

SMILES

CCCCCCOC(=O)C(C)N(C)C(=O)OCCCCl

Molecular Weight¹

307.81

• 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	0.8377		Relay (1.0) Calculated Property
ΔfG°	-304.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-948.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.28	kJ/mol	Joback Calculated Property
ΔvapH°	88.05	kJ/mol	Relay (1.0) Calculated Property
IE	9.13	eV	Relay (1.0) Calculated Property
log10WS	-3.05		Relay (1.0) Calculated Property
logPoct/wat	3.196		Crippen Calculated Property
McVol	245.220	ml/mol	McGowan Calculated Property
Pc	1598.72	kPa	Joback Calculated Property
Inp	[2010.00; 2010.00]
Inp	2010.00		NIST
Inp	2010.00		NIST
Tboil	579.04	K	Relay (1.0) Calculated Property
Tc	776.72	K	Relay (1.0) Calculated Property
Tfus	264.83	K	Relay (1.0) Calculated Property
Vc	0.904	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[693.57; 772.91]	J/mol×K	[721.73; 903.95]
Cp,gas	693.57	J/mol×K	721.73	Joback Calculated Property
Cp,gas	708.82	J/mol×K	752.10	Joback Calculated Property
Cp,gas	723.24	J/mol×K	782.47	Joback Calculated Property
Cp,gas	736.85	J/mol×K	812.84	Joback Calculated Property
Cp,gas	749.66	J/mol×K	843.21	Joback Calculated Property
Cp,gas	761.67	J/mol×K	873.58	Joback Calculated Property
Cp,gas	772.91	J/mol×K	903.95	Joback Calculated Property

Similar Compounds

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

Sources

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

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