Chemical Properties of Sarcosine, N-(4-methoxybenzoyl)-, undecyl ester

InChI

InChI=1S/C22H35NO4/c1-4-5-6-7-8-9-10-11-12-17-27-21(24)18-23(2)22(25)19-13-15-20(26-3)16-14-19/h13-16H,4-12,17-18H2,1-3H3

InChI Key

ZIPJJAQHVPGGHV-UHFFFAOYSA-N

Formula

C22H35NO4

SMILES

CCCCCCCCCCCOC(=O)CN(C)C(=O)c1ccc(OC)cc1

Molecular Weight¹

377.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	56.57	kJ/mol	Joback Calculated Property
ΔvapH°	116.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.26	eV	Relay (1.0) Calculated Property
log10WS	-5.51		Relay (1.0) Calculated Property
logPoct/wat	4.841		Crippen Calculated Property
McVol	321.940	ml/mol	McGowan Calculated Property
Pc	1137.50	kPa	Joback Calculated Property
Inp	[3081.00; 3081.00]
Inp	3081.00		NIST
Inp	3081.00		NIST
Tboil	676.27	K	Relay (1.0) Calculated Property
Tfus	317.50	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[465.65; 1086.42]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.08610e+01
Coefficient B			1.93336e+00
Coefficient C			-1.02546e-03
Coefficient D			1.67660e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	465.65	J/mol×K	273.00	Calculated Property
Cp,gas	573.92	J/mol×K	353.78	Calculated Property
Cp,gas	671.13	J/mol×K	434.56	Calculated Property
Cp,gas	757.80	J/mol×K	515.33	Calculated Property
Cp,gas	834.48	J/mol×K	596.11	Calculated Property
Cp,gas	901.68	J/mol×K	676.89	Calculated Property
Cp,gas	959.95	J/mol×K	757.67	Calculated Property
Cp,gas	1009.81	J/mol×K	838.44	Calculated Property
Cp,gas	1051.79	J/mol×K	919.22	Calculated Property
Cp,gas	1086.42	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-methoxybenzoyl)-, undecyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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