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

• 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	0.6288		Relay (1.0) Calculated Property
ΔfH°gas	-696.16	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	24.61	kJ/mol	Joback Calculated Property
ΔvapH°	66.12	kJ/mol	Relay (1.0) Calculated Property
IE	8.57	eV	Relay (1.0) Calculated Property
log10WS	-1.19		Relay (1.0) 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	520.61	K	Relay (1.0) Calculated Property
Tc	697.82	K	Relay (1.0) Calculated Property
Tfus	273.04	K	Relay (1.0) Calculated Property
Vc	0.699	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	[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

• 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.