Chemical Properties of DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, nonyl ester

InChI

InChI=1S/C20H37NO4/c1-6-8-10-11-12-13-14-16-24-19(22)18(17(3)4)21(5)20(23)25-15-9-7-2/h7,17-18H,2,6,8-16H2,1,3-5H3

InChI Key

WBGUJXSSWRZEHK-UHFFFAOYSA-N

Formula

C20H37NO4

SMILES

C=CCCOC(=O)N(C)C(C(=O)OCCCCCCCCC)C(C)C

Molecular Weight¹

355.51

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.9242		Relay (... Calculated Property
ΔfG°	-156.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-920.47	kJ/mol	Relay (... Calculated Property
ΔfusH°	47.82	kJ/mol	Joback Calculated Property
ΔvapH°	97.63	kJ/mol	Relay (... Calculated Property
IE	8.81	eV	Relay (... Calculated Property
log10WS	-4.49		Relay (... Calculated Property
logPoct/wat	4.949		Crippen Calculated Property
McVol	313.220	ml/mol	McGowan Calculated Property
Pc	1118.56	kPa	Joback Calculated Property
Inp	[2259.00; 2259.00]
Inp	2259.00		NIST
Inp	2259.00		NIST
Tboil	623.93	K	Relay (... Calculated Property
Tc	795.34	K	Relay (... Calculated Property
Tfus	265.09	K	Relay (... Calculated Property
Vc	1.135	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[986.33; 1078.69]	J/mol×K	[817.82; 1004.78]
Cp,gas	986.33	J/mol×K	817.82	Joback Calculated Property
Cp,gas	1004.33	J/mol×K	848.98	Joback Calculated Property
Cp,gas	1021.26	J/mol×K	880.14	Joback Calculated Property
Cp,gas	1037.13	J/mol×K	911.30	Joback Calculated Property
Cp,gas	1051.97	J/mol×K	942.46	Joback Calculated Property
Cp,gas	1065.82	J/mol×K	973.62	Joback Calculated Property
Cp,gas	1078.69	J/mol×K	1004.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-(but-3-en-1-yloxycarbonyl)-, nonyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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