Chemical Properties of Sarcosine, N-(3-methylbut-2-enoyl)-, pentadecyl ester

InChI

InChI=1S/C23H43NO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-23(26)20-24(4)22(25)19-21(2)3/h19H,5-18,20H2,1-4H3

InChI Key

SBNSQIHUFPNNCE-UHFFFAOYSA-N

Formula

C23H43NO3

SMILES

CCCCCCCCCCCCCCCOC(=O)CN(C)C(=O)C=C(C)C

Molecular Weight¹

381.59

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	63.21	kJ/mol	Joback Calculated Property
ΔvapH°	115.57	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.04		Relay (1.0) Calculated Property
logPoct/wat	6.045		Crippen Calculated Property
McVol	349.620	ml/mol	McGowan Calculated Property
Pc	916.61	kPa	Joback Calculated Property
Inp	[2832.00; 2832.00]
Inp	2832.00		NIST
Inp	2832.00		NIST
Tboil	632.16	K	Relay (1.0) Calculated Property
Tc	838.45	K	Relay (1.0) Calculated Property
Tfus	309.58	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[512.32; 1210.22]	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			-9.81500e+00
Coefficient B			2.24988e+00
Coefficient C			-1.31280e-03
Coefficient D			2.82960e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	512.32	J/mol×K	273.00	Calculated Property
Cp,gas	634.36	J/mol×K	353.78	Calculated Property
Cp,gas	743.20	J/mol×K	434.56	Calculated Property
Cp,gas	839.71	J/mol×K	515.33	Calculated Property
Cp,gas	924.80	J/mol×K	596.11	Calculated Property
Cp,gas	999.36	J/mol×K	676.89	Calculated Property
Cp,gas	1064.29	J/mol×K	757.67	Calculated Property
Cp,gas	1120.48	J/mol×K	838.44	Calculated Property
Cp,gas	1168.83	J/mol×K	919.22	Calculated Property
Cp,gas	1210.23	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Sarcosine, N-(3-methylbut-2-enoyl)-, pentadecyl 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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