Chemical Properties of Sarcosine, N-(2-methylbenzoyl)-, undecyl ester

InChI

InChI=1S/C22H35NO3/c1-4-5-6-7-8-9-10-11-14-17-26-21(24)18-23(3)22(25)20-16-13-12-15-19(20)2/h12-13,15-16H,4-11,14,17-18H2,1-3H3

InChI Key

BJNSYMPTAIZPKV-UHFFFAOYSA-N

Formula

C22H35NO3

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccccc1C

Molecular Weight¹

361.52

• ω : Acentric Factor.
• 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).
• 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	1.0194		Relay (1.0) Calculated Property
ΔfG°	-14.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-662.20	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	53.79	kJ/mol	Joback Calculated Property
ΔvapH°	111.53	kJ/mol	Relay (1.0) Calculated Property
IE	8.49	eV	Relay (1.0) Calculated Property
log10WS	-5.48		Relay (1.0) Calculated Property
logPoct/wat	5.141		Crippen Calculated Property
McVol	316.070	ml/mol	McGowan Calculated Property
Pc	1183.34	kPa	Joback Calculated Property
Inp	[2756.00; 2756.00]
Inp	2756.00		NIST
Inp	2756.00		NIST
Tboil	655.77	K	Relay (1.0) Calculated Property
Tc	871.48	K	Relay (1.0) Calculated Property
Tfus	313.92	K	Relay (1.0) Calculated Property
Vc	1.184	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1010.30; 1096.45]	J/mol×K	[877.02; 1078.66]
Cp,gas	1010.30	J/mol×K	877.02	Joback Calculated Property
Cp,gas	1027.39	J/mol×K	910.63	Joback Calculated Property
Cp,gas	1043.32	J/mol×K	944.23	Joback Calculated Property
Cp,gas	1058.14	J/mol×K	977.84	Joback Calculated Property
Cp,gas	1071.90	J/mol×K	1011.45	Joback Calculated Property
Cp,gas	1084.66	J/mol×K	1045.06	Joback Calculated Property
Cp,gas	1096.45	J/mol×K	1078.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(2-methylbenzoyl)-, undecyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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