Chemical Properties of Sarcosine, N-(3-methylbenzoyl)-, butyl ester

InChI

InChI=1S/C15H21NO3/c1-4-5-9-19-14(17)11-16(3)15(18)13-8-6-7-12(2)10-13/h6-8,10H,4-5,9,11H2,1-3H3

InChI Key

KUNPAORYHJFQEL-UHFFFAOYSA-N

Formula

C15H21NO3

SMILES

CCCCOC(=O)CN(C)C(=O)c1cccc(C)c1

Molecular Weight¹

263.33

• 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°	-73.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-417.72	kJ/mol	Joback Calculated Property
ΔfusH°	35.66	kJ/mol	Joback Calculated Property
ΔvapH°	69.87	kJ/mol	Joback Calculated Property
log10WS	-3.05		Crippen Calculated Property
logPoct/wat	2.410		Crippen Calculated Property
McVol	217.440	ml/mol	McGowan Calculated Property
Pc	2001.91	kPa	Joback Calculated Property
Inp	[2077.00; 2077.00]
Inp	2077.00		NIST
Inp	2077.00		NIST
Tboil	716.86	K	Joback Calculated Property
Tc	919.80	K	Joback Calculated Property
Tfus	452.31	K	Joback Calculated Property
Vc	0.816	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.12; 683.89]	J/mol×K	[716.86; 919.80]
Cp,gas	606.12	J/mol×K	716.86	Joback Calculated Property
Cp,gas	621.39	J/mol×K	750.68	Joback Calculated Property
Cp,gas	635.70	J/mol×K	784.51	Joback Calculated Property
Cp,gas	649.08	J/mol×K	818.33	Joback Calculated Property
Cp,gas	661.55	J/mol×K	852.15	Joback Calculated Property
Cp,gas	673.14	J/mol×K	885.98	Joback Calculated Property
Cp,gas	683.89	J/mol×K	919.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-methylbenzoyl)-, butyl ester.

Sources

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

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