Chemical Properties of L-Norvaline, N-butoxycarbonyl-, decyl ester

InChI

InChI=1S/C20H39NO4/c1-4-7-9-10-11-12-13-14-17-24-19(22)18(15-6-3)21-20(23)25-16-8-5-2/h18H,4-17H2,1-3H3,(H,21,23)

InChI Key

GZOOGWNIMVGTHW-UHFFFAOYSA-N

Formula

C20H39NO4

SMILES

CCCCCCCCCCOC(=O)C(CCC)NC(=O)OCCCC

Molecular Weight¹

357.53

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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	1.0546		Relay (1.0) Calculated Property
ΔfH°gas	-1069.13	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.71	kJ/mol	Joback Calculated Property
ΔvapH°	106.02	kJ/mol	Relay (1.0) Calculated Property
IE	9.04	eV	Relay (1.0) Calculated Property
log10WS	-5.43		Relay (1.0) Calculated Property
logPoct/wat	5.365		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1092.82	kPa	Joback Calculated Property
Inp	[2149.00; 2149.00]
Inp	2149.00		NIST
Inp	2149.00		NIST
Tboil	608.83	K	Relay (1.0) Calculated Property
Tc	809.00	K	Relay (1.0) Calculated Property
Tfus	296.17	K	Relay (1.0) Calculated Property
Vc	1.198	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1034.07; 1124.12]	J/mol×K	[859.31; 1052.56]
Cp,gas	1034.07	J/mol×K	859.31	Joback Calculated Property
Cp,gas	1051.93	J/mol×K	891.52	Joback Calculated Property
Cp,gas	1068.63	J/mol×K	923.73	Joback Calculated Property
Cp,gas	1084.17	J/mol×K	955.93	Joback Calculated Property
Cp,gas	1098.59	J/mol×K	988.14	Joback Calculated Property
Cp,gas	1111.90	J/mol×K	1020.35	Joback Calculated Property
Cp,gas	1124.12	J/mol×K	1052.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to L-Norvaline, N-butoxycarbonyl-, decyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.