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

InChI

InChI=1S/C15H21NO3/c1-11(2)10-19-14(17)9-16(4)15(18)13-7-5-12(3)6-8-13/h5-8,11H,9-10H2,1-4H3

InChI Key

IHAMTAGWELIWOU-UHFFFAOYSA-N

Formula

C15H21NO3

SMILES

Cc1ccc(C(=O)N(C)CC(=O)OCC(C)C)cc1

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°	-76.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-423.00	kJ/mol	Joback Calculated Property
ΔfusH°	32.14	kJ/mol	Joback Calculated Property
ΔvapH°	69.48	kJ/mol	Joback Calculated Property
log10WS	-2.80		Crippen Calculated Property
logPoct/wat	2.266		Crippen Calculated Property
McVol	217.440	ml/mol	McGowan Calculated Property
Pc	2016.32	kPa	Joback Calculated Property
Inp	[2066.00; 2066.00]
Inp	2066.00		NIST
Inp	2066.00		NIST
Tboil	716.42	K	Joback Calculated Property
Tc	922.64	K	Joback Calculated Property
Tfus	437.31	K	Joback Calculated Property
Vc	0.809	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.64; 685.42]	J/mol×K	[716.42; 922.64]
Cp,gas	606.64	J/mol×K	716.42	Joback Calculated Property
Cp,gas	622.19	J/mol×K	750.79	Joback Calculated Property
Cp,gas	636.72	J/mol×K	785.16	Joback Calculated Property
Cp,gas	650.28	J/mol×K	819.53	Joback Calculated Property
Cp,gas	662.89	J/mol×K	853.90	Joback Calculated Property
Cp,gas	674.60	J/mol×K	888.27	Joback Calculated Property
Cp,gas	685.42	J/mol×K	922.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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