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

InChI

InChI=1S/C24H46ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-19-29-23(27)22(21(2)3)26(4)24(28)30-20-17-18-25/h21-22H,5-20H2,1-4H3

InChI Key

RVFNFAZWBSKMPG-UHFFFAOYSA-N

Formula

C24H46ClNO4

SMILES

CCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

448.08

• 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°	-222.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-987.06	kJ/mol	Joback Calculated Property
ΔfusH°	63.66	kJ/mol	Joback Calculated Property
ΔvapH°	92.98	kJ/mol	Joback Calculated Property
log10WS	-7.16		Crippen Calculated Property
logPoct/wat	6.953		Crippen Calculated Property
McVol	386.120	ml/mol	McGowan Calculated Property
Pc	838.70	kPa	Joback Calculated Property
Inp	[2903.00; 2903.00]
Inp	2903.00		NIST
Inp	2903.00		NIST
Tboil	950.09	K	Joback Calculated Property
Tc	1166.21	K	Joback Calculated Property
Tfus	536.95	K	Joback Calculated Property
Vc	1.482	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1293.65; 1387.20]	J/mol×K	[950.09; 1166.21]
Cp,gas	1293.65	J/mol×K	950.09	Joback Calculated Property
Cp,gas	1312.91	J/mol×K	986.11	Joback Calculated Property
Cp,gas	1330.63	J/mol×K	1022.13	Joback Calculated Property
Cp,gas	1346.87	J/mol×K	1058.15	Joback Calculated Property
Cp,gas	1361.67	J/mol×K	1094.17	Joback Calculated Property
Cp,gas	1375.10	J/mol×K	1130.19	Joback Calculated Property
Cp,gas	1387.20	J/mol×K	1166.21	Joback Calculated Property

Similar Compounds

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

Sources

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

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