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

InChI

InChI=1S/C19H36ClNO4/c1-5-6-7-8-9-10-11-14-24-18(22)17(16(2)3)21(4)19(23)25-15-12-13-20/h16-17H,5-15H2,1-4H3

InChI Key

BVUYANXWWDCTPW-UHFFFAOYSA-N

Formula

C19H36ClNO4

SMILES

CCCCCCCCCOC(=O)C(C(C)C)N(C)C(=O)OCCCCl

Molecular Weight¹

377.95

• 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°	-264.77	kJ/mol	Joback Calculated Property
ΔfH°gas	-883.86	kJ/mol	Joback Calculated Property
ΔfusH°	50.71	kJ/mol	Joback Calculated Property
ΔvapH°	81.85	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	5.002		Crippen Calculated Property
McVol	315.670	ml/mol	McGowan Calculated Property
Pc	1131.38	kPa	Joback Calculated Property
Inp	[2396.00; 2396.00]
Inp	2396.00		NIST
Inp	2396.00		NIST
Tboil	835.69	K	Joback Calculated Property
Tc	1026.06	K	Joback Calculated Property
Tfus	480.60	K	Joback Calculated Property
Vc	1.202	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[984.47; 1071.73]	J/mol×K	[835.69; 1026.06]
Cp,gas	984.47	J/mol×K	835.69	Joback Calculated Property
Cp,gas	1001.67	J/mol×K	867.42	Joback Calculated Property
Cp,gas	1017.78	J/mol×K	899.15	Joback Calculated Property
Cp,gas	1032.81	J/mol×K	930.88	Joback Calculated Property
Cp,gas	1046.80	J/mol×K	962.60	Joback Calculated Property
Cp,gas	1059.76	J/mol×K	994.33	Joback Calculated Property
Cp,gas	1071.73	J/mol×K	1026.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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