Chemical Properties of DL-Valine, N-methyl-N-hexyloxycarbonyl-, pentyl ester

InChI

InChI=1S/C18H35NO4/c1-6-8-10-12-14-23-18(21)19(5)16(15(3)4)17(20)22-13-11-9-7-2/h15-16H,6-14H2,1-5H3

InChI Key

MZZJVHLIQXVPNN-UHFFFAOYSA-N

Formula

C18H35NO4

SMILES

CCCCCCOC(=O)N(C)C(C(=O)OCCCCC)C(C)C

Molecular Weight¹

329.47

• 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	0.9019		Relay (... Calculated Property
ΔfG°	-261.26	kJ/mol	Joback Calculated Property
ΔfH°gas	-983.40	kJ/mol	Relay (... Calculated Property
ΔfusH°	43.92	kJ/mol	Joback Calculated Property
ΔvapH°	91.45	kJ/mol	Relay (... Calculated Property
IE	8.62	eV	Relay (... Calculated Property
log10WS	-4.03		Relay (... Calculated Property
logPoct/wat	4.393		Crippen Calculated Property
McVol	289.340	ml/mol	McGowan Calculated Property
Pc	1239.83	kPa	Joback Calculated Property
Inp	[2044.00; 2044.00]
Inp	2044.00		NIST
Inp	2044.00		NIST
Tboil	585.93	K	Relay (... Calculated Property
Tc	772.87	K	Relay (... Calculated Property
Tfus	264.44	K	Relay (... Calculated Property
Vc	1.077	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[892.99; 985.32]	J/mol×K	[775.38; 957.28]
Cp,gas	892.99	J/mol×K	775.38	Joback Calculated Property
Cp,gas	910.82	J/mol×K	805.70	Joback Calculated Property
Cp,gas	927.65	J/mol×K	836.01	Joback Calculated Property
Cp,gas	943.49	J/mol×K	866.33	Joback Calculated Property
Cp,gas	958.38	J/mol×K	896.65	Joback Calculated Property
Cp,gas	972.31	J/mol×K	926.96	Joback Calculated Property
Cp,gas	985.32	J/mol×K	957.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-Valine, N-methyl-N-hexyloxycarbonyl-, pentyl ester.

Sources

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

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