Chemical Properties of l-Norvaline, n-propoxycarbonyl-, dodecyl ester

InChI

InChI=1S/C21H41NO4/c1-4-7-8-9-10-11-12-13-14-15-18-25-20(23)19(16-5-2)22-21(24)26-17-6-3/h19H,4-18H2,1-3H3,(H,22,24)

InChI Key

BLWKULSJFBKTKU-UHFFFAOYSA-N

Formula

C21H41NO4

SMILES

CCCCCCCCCCCCOC(=O)C(CCC)NC(=O)OCCC

Molecular Weight¹

371.55

• 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	1.0907		Relay (... Calculated Property
ΔfG°	-254.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-1089.10	kJ/mol	Relay (... Calculated Property
ΔfusH°	57.30	kJ/mol	Joback Calculated Property
ΔvapH°	109.03	kJ/mol	Relay (... Calculated Property
IE	9.10	eV	Relay (... Calculated Property
log10WS	-5.83		Relay (... Calculated Property
logPoct/wat	5.755		Crippen Calculated Property
McVol	331.610	ml/mol	McGowan Calculated Property
Pc	1026.63	kPa	Joback Calculated Property
Inp	[2239.00; 2239.00]
Inp	2239.00		NIST
Inp	2239.00		NIST
Tboil	618.03	K	Relay (... Calculated Property
Tc	815.52	K	Relay (... Calculated Property
Tfus	306.31	K	Relay (... Calculated Property
Vc	1.254	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1095.61; 1186.95]	J/mol×K	[882.19; 1080.05]
Cp,gas	1095.61	J/mol×K	882.19	Joback Calculated Property
Cp,gas	1113.89	J/mol×K	915.17	Joback Calculated Property
Cp,gas	1130.92	J/mol×K	948.14	Joback Calculated Property
Cp,gas	1146.71	J/mol×K	981.12	Joback Calculated Property
Cp,gas	1161.29	J/mol×K	1014.10	Joback Calculated Property
Cp,gas	1174.70	J/mol×K	1047.07	Joback Calculated Property
Cp,gas	1186.95	J/mol×K	1080.05	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, n-propoxycarbonyl-, dodecyl ester.

Sources

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

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