Chemical Properties of DL-Valine, N-methyl-N-(3-chloropropoxycarbonyl)-, 3-chloropropyl ester

InChI

InChI=1S/C13H23Cl2NO4/c1-10(2)11(12(17)19-8-4-6-14)16(3)13(18)20-9-5-7-15/h10-11H,4-9H2,1-3H3

InChI Key

IKGOABKMCRSBFU-UHFFFAOYSA-N

Formula

C13H23Cl2NO4

SMILES

CC(C)C(C(=O)OCCCCl)N(C)C(=O)OCCCCl

Molecular Weight¹

328.23

• 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	0.8100		Relay (... Calculated Property
ΔfG°	-327.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-931.72	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.37	kJ/mol	Joback Calculated Property
ΔvapH°	90.27	kJ/mol	Relay (... Calculated Property
IE	9.11	eV	Relay (... Calculated Property
log10WS	-2.87		Relay (... Calculated Property
logPoct/wat	2.880		Crippen Calculated Property
McVol	243.370	ml/mol	McGowan Calculated Property
Pc	1687.95	kPa	Joback Calculated Property
Inp	[2085.00; 2085.00]
Inp	2085.00		NIST
Inp	2085.00		NIST
Tboil	575.92	K	Relay (... Calculated Property
Tc	793.70	K	Relay (... Calculated Property
Tfus	275.64	K	Relay (... Calculated Property
Vc	0.860	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[667.64; 739.96]	J/mol×K	[735.84; 925.18]
Cp,gas	667.64	J/mol×K	735.84	Joback Calculated Property
Cp,gas	681.75	J/mol×K	767.40	Joback Calculated Property
Cp,gas	695.02	J/mol×K	798.95	Joback Calculated Property
Cp,gas	707.46	J/mol×K	830.51	Joback Calculated Property
Cp,gas	719.09	J/mol×K	862.07	Joback Calculated Property
Cp,gas	729.92	J/mol×K	893.63	Joback Calculated Property
Cp,gas	739.96	J/mol×K	925.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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