Chemical Properties of Sarcosine, N-isobutyryl-, isobutyl ester

InChI

InChI=1S/C11H21NO3/c1-8(2)7-15-10(13)6-12(5)11(14)9(3)4/h8-9H,6-7H2,1-5H3

InChI Key

ACCHSXWUOMXEOH-UHFFFAOYSA-N

Formula

C11H21NO3

SMILES

CC(C)COC(=O)CN(C)C(=O)C(C)C

Molecular Weight¹

215.29

• 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°	-215.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-570.78	kJ/mol	Joback Calculated Property
ΔfusH°	24.61	kJ/mol	Joback Calculated Property
ΔvapH°	57.25	kJ/mol	Joback Calculated Property
log10WS	-1.15		Crippen Calculated Property
logPoct/wat	1.300		Crippen Calculated Property
McVol	184.840	ml/mol	McGowan Calculated Property
Pc	2161.32	kPa	Joback Calculated Property
Inp	[1516.00; 1516.00]
Inp	1516.00		NIST
Inp	1516.00		NIST
Tboil	592.80	K	Joback Calculated Property
Tc	776.81	K	Joback Calculated Property
Tfus	338.29	K	Joback Calculated Property
Vc	0.688	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[476.37; 556.68]	J/mol×K	[592.80; 776.81]
Cp,gas	476.37	J/mol×K	592.80	Joback Calculated Property
Cp,gas	491.54	J/mol×K	623.47	Joback Calculated Property
Cp,gas	505.97	J/mol×K	654.14	Joback Calculated Property
Cp,gas	519.69	J/mol×K	684.80	Joback Calculated Property
Cp,gas	532.71	J/mol×K	715.47	Joback Calculated Property
Cp,gas	545.03	J/mol×K	746.14	Joback Calculated Property
Cp,gas	556.68	J/mol×K	776.81	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-isobutyryl-, isobutyl ester.

Sources

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

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