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

InChI

InChI=1S/C23H44ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-18-28-22(26)21(20(2)3)25(4)23(27)29-19-16-17-24/h20-21H,5-19H2,1-4H3

InChI Key

CXDIJAJXIQLSHL-UHFFFAOYSA-N

Formula

C23H44ClNO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

434.05

• 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°	-231.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-966.42	kJ/mol	Joback Calculated Property
ΔfusH°	61.07	kJ/mol	Joback Calculated Property
ΔvapH°	90.76	kJ/mol	Joback Calculated Property
log10WS	-6.75		Crippen Calculated Property
logPoct/wat	6.562		Crippen Calculated Property
McVol	372.030	ml/mol	McGowan Calculated Property
Pc	887.35	kPa	Joback Calculated Property
Inp	[2800.00; 2800.00]
Inp	2800.00		NIST
Inp	2800.00		NIST
Tboil	927.21	K	Joback Calculated Property
Tc	1136.19	K	Joback Calculated Property
Tfus	525.68	K	Joback Calculated Property
Vc	1.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1230.70; 1322.95]	J/mol×K	[927.21; 1136.19]
Cp,gas	1230.70	J/mol×K	927.21	Joback Calculated Property
Cp,gas	1249.48	J/mol×K	962.04	Joback Calculated Property
Cp,gas	1266.84	J/mol×K	996.87	Joback Calculated Property
Cp,gas	1282.82	J/mol×K	1031.70	Joback Calculated Property
Cp,gas	1297.47	J/mol×K	1066.53	Joback Calculated Property
Cp,gas	1310.83	J/mol×K	1101.36	Joback Calculated Property
Cp,gas	1322.95	J/mol×K	1136.19	Joback Calculated Property

Similar Compounds

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

Sources

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

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