Chemical Properties of Sarcosine, N-(4-ethylbenzoyl)-, isobutyl ester

InChI

InChI=1S/C16H23NO3/c1-5-13-6-8-14(9-7-13)16(19)17(4)10-15(18)20-11-12(2)3/h6-9,12H,5,10-11H2,1-4H3

InChI Key

KAPAOMLJNDMSLP-UHFFFAOYSA-N

Formula

C16H23NO3

SMILES

CCc1ccc(C(=O)N(C)CC(=O)OCC(C)C)cc1

Molecular Weight¹

277.36

• 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°	-67.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-443.64	kJ/mol	Joback Calculated Property
ΔfusH°	34.73	kJ/mol	Joback Calculated Property
ΔvapH°	71.71	kJ/mol	Joback Calculated Property
log10WS	-3.13		Crippen Calculated Property
logPoct/wat	2.520		Crippen Calculated Property
McVol	231.530	ml/mol	McGowan Calculated Property
Pc	1853.11	kPa	Joback Calculated Property
Inp	[2153.00; 2153.00]
Inp	2153.00		NIST
Inp	2153.00		NIST
Tboil	739.30	K	Joback Calculated Property
Tc	943.32	K	Joback Calculated Property
Tfus	448.58	K	Joback Calculated Property
Vc	0.866	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.50; 741.81]	J/mol×K	[739.30; 943.32]
Cp,gas	661.50	J/mol×K	739.30	Joback Calculated Property
Cp,gas	677.35	J/mol×K	773.30	Joback Calculated Property
Cp,gas	692.16	J/mol×K	807.31	Joback Calculated Property
Cp,gas	705.98	J/mol×K	841.31	Joback Calculated Property
Cp,gas	718.84	J/mol×K	875.32	Joback Calculated Property
Cp,gas	730.77	J/mol×K	909.32	Joback Calculated Property
Cp,gas	741.81	J/mol×K	943.32	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-ethylbenzoyl)-, isobutyl ester.

Sources

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

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