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

InChI

InChI=1S/C20H31NO3/c1-4-5-6-7-8-9-10-14-24-19(22)16-21(3)20(23)18-13-11-12-17(2)15-18/h11-13,15H,4-10,14,16H2,1-3H3

InChI Key

VPUPCPUXZIZVKD-UHFFFAOYSA-N

Formula

C20H31NO3

SMILES

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

Molecular Weight¹

333.46

• 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°	-31.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-520.92	kJ/mol	Joback Calculated Property
ΔfusH°	48.61	kJ/mol	Joback Calculated Property
ΔvapH°	81.00	kJ/mol	Joback Calculated Property
log10WS	-5.14		Crippen Calculated Property
logPoct/wat	4.361		Crippen Calculated Property
McVol	287.890	ml/mol	McGowan Calculated Property
Pc	1356.63	kPa	Joback Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	831.26	K	Joback Calculated Property
Tc	1030.06	K	Joback Calculated Property
Tfus	508.66	K	Joback Calculated Property
Vc	1.095	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[890.48; 974.62]	J/mol×K	[831.26; 1030.06]
Cp,gas	890.48	J/mol×K	831.26	Joback Calculated Property
Cp,gas	907.08	J/mol×K	864.39	Joback Calculated Property
Cp,gas	922.59	J/mol×K	897.53	Joback Calculated Property
Cp,gas	937.06	J/mol×K	930.66	Joback Calculated Property
Cp,gas	950.53	J/mol×K	963.79	Joback Calculated Property
Cp,gas	963.03	J/mol×K	996.92	Joback Calculated Property
Cp,gas	974.62	J/mol×K	1030.06	Joback Calculated Property

Similar Compounds

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

Sources

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

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