Chemical Properties of l-Norvaline, N-isobutoxycarbonyl-, isohexyl ester

InChI

InChI=1S/C16H31NO4/c1-6-8-14(17-16(19)21-11-13(4)5)15(18)20-10-7-9-12(2)3/h12-14H,6-11H2,1-5H3,(H,17,19)

InChI Key

QNFGEQCXAQCBCN-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

CCCC(NC(=O)OCC(C)C)C(=O)OCCCC(C)C

Molecular Weight¹

301.42

• 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	0.8529		Relay (1.0) Calculated Property
ΔfG°	-301.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1030.26	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	37.30	kJ/mol	Joback Calculated Property
ΔvapH°	84.47	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	3.517		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1451.25	kPa	Joback Calculated Property
Inp	[1737.00; 1737.00]
Inp	1737.00		NIST
Inp	1737.00		NIST
Tboil	578.00	K	Relay (1.0) Calculated Property
Tc	759.69	K	Relay (1.0) Calculated Property
Tfus	280.64	K	Relay (1.0) Calculated Property
Vc	0.964	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.33; 882.01]	J/mol×K	[766.91; 953.11]
Cp,gas	796.33	J/mol×K	766.91	Joback Calculated Property
Cp,gas	812.99	J/mol×K	797.94	Joback Calculated Property
Cp,gas	828.68	J/mol×K	828.98	Joback Calculated Property
Cp,gas	843.41	J/mol×K	860.01	Joback Calculated Property
Cp,gas	857.20	J/mol×K	891.04	Joback Calculated Property
Cp,gas	870.07	J/mol×K	922.08	Joback Calculated Property
Cp,gas	882.01	J/mol×K	953.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to l-Norvaline, N-isobutoxycarbonyl-, isohexyl ester.

Sources

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

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