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

InChI

InChI=1S/C20H31NO4/c1-4-5-6-7-8-9-10-15-25-19(22)16-21(2)20(23)17-11-13-18(24-3)14-12-17/h11-14H,4-10,15-16H2,1-3H3

InChI Key

ZFTPSJFYTPFKAS-UHFFFAOYSA-N

Formula

C20H31NO4

SMILES

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

Molecular Weight¹

349.46

• 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°	51.38	kJ/mol	Joback Calculated Property
ΔvapH°	108.94	kJ/mol	Relay (1.0) Calculated Property
IE	8.21	eV	Relay (1.0) Calculated Property
log10WS	-4.87		Relay (1.0) Calculated Property
logPoct/wat	4.061		Crippen Calculated Property
McVol	293.760	ml/mol	McGowan Calculated Property
Pc	1300.47	kPa	Joback Calculated Property
Inp	[2785.00; 2785.00]
Inp	2785.00		NIST
Inp	2785.00		NIST
Tboil	662.52	K	Relay (1.0) Calculated Property
Tfus	314.32	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	[423.23; 983.24]	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			1.26790e+01
Coefficient B			1.74336e+00
Coefficient C			-9.16660e-04
Coefficient D			1.43860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	423.23	J/mol×K	273.00	Calculated Property
Cp,gas	521.08	J/mol×K	353.78	Calculated Property
Cp,gas	608.97	J/mol×K	434.56	Calculated Property
Cp,gas	687.34	J/mol×K	515.33	Calculated Property
Cp,gas	756.66	J/mol×K	596.11	Calculated Property
Cp,gas	817.36	J/mol×K	676.89	Calculated Property
Cp,gas	869.92	J/mol×K	757.67	Calculated Property
Cp,gas	914.78	J/mol×K	838.44	Calculated Property
Cp,gas	952.40	J/mol×K	919.22	Calculated Property
Cp,gas	983.24	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(4-methoxybenzoyl)-, nonyl 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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