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

InChI

InChI=1S/C27H52ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-32-26(30)25(24(2)3)29(4)27(31)33-23-20-21-28/h24-25H,5-23H2,1-4H3

InChI Key

WHKJDGXAQARRHC-UHFFFAOYSA-N

Formula

C27H52ClNO4

SMILES

CCCCCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

490.16

• 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°	-197.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1048.98	kJ/mol	Joback Calculated Property
ΔfusH°	71.43	kJ/mol	Joback Calculated Property
ΔvapH°	99.66	kJ/mol	Joback Calculated Property
log10WS	-8.42		Crippen Calculated Property
logPoct/wat	8.123		Crippen Calculated Property
McVol	428.390	ml/mol	McGowan Calculated Property
Pc	714.54	kPa	Joback Calculated Property
Inp	[3226.00; 3226.00]
Inp	3226.00		NIST
Inp	3226.00		NIST
Tboil	1018.73	K	Joback Calculated Property
Tc	1263.56	K	Joback Calculated Property
Tfus	570.76	K	Joback Calculated Property
Vc	1.651	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1485.01; 1582.54]	J/mol×K	[1018.73; 1263.56]
Cp,gas	1485.01	J/mol×K	1018.73	Joback Calculated Property
Cp,gas	1505.96	J/mol×K	1059.53	Joback Calculated Property
Cp,gas	1524.91	J/mol×K	1100.34	Joback Calculated Property
Cp,gas	1541.94	J/mol×K	1141.14	Joback Calculated Property
Cp,gas	1557.17	J/mol×K	1181.95	Joback Calculated Property
Cp,gas	1570.67	J/mol×K	1222.75	Joback Calculated Property
Cp,gas	1582.54	J/mol×K	1263.56	Joback Calculated Property

Similar Compounds

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

Sources

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

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