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

InChI

InChI=1S/C28H54ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-33-27(31)26(25(2)3)30(4)28(32)34-24-21-22-29/h25-26H,5-24H2,1-4H3

InChI Key

FHKMDZGJOFIRHP-UHFFFAOYSA-N

Formula

C28H54ClNO4

SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

504.19

• 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°	-188.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1069.62	kJ/mol	Joback Calculated Property
ΔfusH°	74.02	kJ/mol	Joback Calculated Property
ΔvapH°	101.89	kJ/mol	Joback Calculated Property
log10WS	-8.84		Crippen Calculated Property
logPoct/wat	8.513		Crippen Calculated Property
McVol	442.480	ml/mol	McGowan Calculated Property
Pc	679.23	kPa	Joback Calculated Property
Inp	[3329.00; 3329.00]
Inp	3329.00		NIST
Inp	3329.00		NIST
Tboil	1041.61	K	Joback Calculated Property
Tc	1298.77	K	Joback Calculated Property
Tfus	582.03	K	Joback Calculated Property
Vc	1.706	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1549.48; 1648.33]	J/mol×K	[1041.61; 1298.77]
Cp,gas	1549.48	J/mol×K	1041.61	Joback Calculated Property
Cp,gas	1571.08	J/mol×K	1084.47	Joback Calculated Property
Cp,gas	1590.48	J/mol×K	1127.33	Joback Calculated Property
Cp,gas	1607.80	J/mol×K	1170.19	Joback Calculated Property
Cp,gas	1623.13	J/mol×K	1213.05	Joback Calculated Property
Cp,gas	1636.61	J/mol×K	1255.91	Joback Calculated Property
Cp,gas	1648.33	J/mol×K	1298.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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