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

InChI

InChI=1S/C15H29NO4/c1-5-8-13(16-15(18)20-10-6-2)14(17)19-11-7-9-12(3)4/h12-13H,5-11H2,1-4H3,(H,16,18)

InChI Key

GKCHBDRPIZCEJQ-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

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

Molecular Weight¹

287.40

• 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°	-307.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-799.62	kJ/mol	Joback Calculated Property
ΔfusH°	38.23	kJ/mol	Joback Calculated Property
ΔvapH°	72.96	kJ/mol	Joback Calculated Property
log10WS	-3.86		Crippen Calculated Property
logPoct/wat	3.271		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1553.67	kPa	Joback Calculated Property
Inp	[1706.00; 1706.00]
Inp	1706.00		NIST
Inp	1706.00		NIST
Tboil	744.47	K	Joback Calculated Property
Tc	928.33	K	Joback Calculated Property
Tfus	425.79	K	Joback Calculated Property
Vc	0.947	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[738.37; 821.97]	J/mol×K	[744.47; 928.33]
Cp,gas	738.37	J/mol×K	744.47	Joback Calculated Property
Cp,gas	754.49	J/mol×K	775.11	Joback Calculated Property
Cp,gas	769.73	J/mol×K	805.76	Joback Calculated Property
Cp,gas	784.09	J/mol×K	836.40	Joback Calculated Property
Cp,gas	797.58	J/mol×K	867.04	Joback Calculated Property
Cp,gas	810.20	J/mol×K	897.69	Joback Calculated Property
Cp,gas	821.97	J/mol×K	928.33	Joback Calculated Property

Similar Compounds

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

Sources

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

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