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

InChI

InChI=1S/C25H48ClNO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-20-30-24(28)23(22(2)3)27(4)25(29)31-21-18-19-26/h22-23H,5-21H2,1-4H3

InChI Key

DAHBXFMMHFPNES-UHFFFAOYSA-N

Formula

C25H48ClNO4

SMILES

CCCCCCCCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

462.11

• 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°	-214.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1007.70	kJ/mol	Joback Calculated Property
ΔfusH°	66.25	kJ/mol	Joback Calculated Property
ΔvapH°	95.21	kJ/mol	Joback Calculated Property
log10WS	-7.58		Crippen Calculated Property
logPoct/wat	7.343		Crippen Calculated Property
McVol	400.210	ml/mol	McGowan Calculated Property
Pc	793.94	kPa	Joback Calculated Property
Inp	[3006.00; 3006.00]
Inp	3006.00		NIST
Inp	3006.00		NIST
Tboil	972.97	K	Joback Calculated Property
Tc	1197.38	K	Joback Calculated Property
Tfus	548.22	K	Joback Calculated Property
Vc	1.538	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1357.05; 1451.92]	J/mol×K	[972.97; 1197.38]
Cp,gas	1357.05	J/mol×K	972.97	Joback Calculated Property
Cp,gas	1376.83	J/mol×K	1010.37	Joback Calculated Property
Cp,gas	1394.94	J/mol×K	1047.77	Joback Calculated Property
Cp,gas	1411.44	J/mol×K	1085.18	Joback Calculated Property
Cp,gas	1426.39	J/mol×K	1122.58	Joback Calculated Property
Cp,gas	1439.86	J/mol×K	1159.98	Joback Calculated Property
Cp,gas	1451.92	J/mol×K	1197.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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