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

InChI

InChI=1S/C13H25NO4/c1-5-7-11(12(15)18-9-10(3)4)14-13(16)17-8-6-2/h10-11H,5-9H2,1-4H3,(H,14,16)

InChI Key

RPUMZARFNDQFRZ-UHFFFAOYSA-N

Formula

C13H25NO4

SMILES

CCCOC(=O)NC(CCC)C(=O)OCC(C)C

Molecular Weight¹

259.34

• 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).
• 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
ΔfG°	-324.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-758.34	kJ/mol	Joback Calculated Property
ΔfusH°	33.05	kJ/mol	Joback Calculated Property
ΔvapH°	68.50	kJ/mol	Joback Calculated Property
log10WS	-3.03		Crippen Calculated Property
logPoct/wat	2.490		Crippen Calculated Property
McVol	218.890	ml/mol	McGowan Calculated Property
Pc	1818.50	kPa	Joback Calculated Property
Inp	[1555.00; 1555.00]
Inp	1555.00		NIST
Inp	1555.00		NIST
Tboil	698.71	K	Joback Calculated Property
Tc	882.99	K	Joback Calculated Property
Tfus	403.25	K	Joback Calculated Property
Vc	0.835	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.67; 706.75]	J/mol×K	[698.71; 882.99]
Cp,gas	626.67	J/mol×K	698.71	Joback Calculated Property
Cp,gas	642.00	J/mol×K	729.42	Joback Calculated Property
Cp,gas	656.53	J/mol×K	760.14	Joback Calculated Property
Cp,gas	670.26	J/mol×K	790.85	Joback Calculated Property
Cp,gas	683.21	J/mol×K	821.56	Joback Calculated Property
Cp,gas	695.37	J/mol×K	852.27	Joback Calculated Property
Cp,gas	706.75	J/mol×K	882.99	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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